PubChemLite - L-arginyl-2-amino-5-phosphono-3-cis-pentenoate (C11H22N5O6P)

Structural Information

Molecular Formula

SMILES

C(C[C@@H](C(=O)N[C@@H](/C=C\CP(=O)(O)O)C(=O)O)N)CN=C(N)N

InChI

InChI=1S/C11H22N5O6P/c12-7(3-1-5-15-11(13)14)9(17)16-8(10(18)19)4-2-6-23(20,21)22/h2,4,7-8H,1,3,5-6,12H2,(H,16,17)(H,18,19)(H4,13,14,15)(H2,20,21,22)/b4-2-/t7-,8-/m0/s1

InChIKey

BLNRPHBKOMCMBX-ABXVWLFBSA-N

Compound name

(Z,2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-phosphonopent-3-enoic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	352.13805	180.3
[M+Na]+	374.11999	195.4
[M+NH4]+	369.16459	185.6
[M+K]+	390.09393	187.4
[M-H]-	350.12349	190.3
[M+Na-2H]-	372.10544	173.8
[M]+	351.13022	183.8
[M]-	351.13132	183.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

352.13805

180.3

[M+Na]+

374.11999

195.4

[M+NH4]+

369.16459

185.6

[M+K]+

390.09393

187.4

[M-H]-

350.12349

190.3

[M+Na-2H]-

372.10544

173.8

[M]+

351.13022

183.8

[M]-

351.13132

183.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

L-arginyl-2-amino-5-phosphono-3-cis-pentenoate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe