CID 151003

Arginylproline

Structural Information

Molecular Formula
C11H21N5O3
SMILES
C1C[C@H](N(C1)C(=O)[C@H](CCCN=C(N)N)N)C(=O)O
InChI
InChI=1S/C11H21N5O3/c12-7(3-1-5-15-11(13)14)9(17)16-6-2-4-8(16)10(18)19/h7-8H,1-6,12H2,(H,18,19)(H4,13,14,15)/t7-,8-/m0/s1
InChIKey
LQJAALCCPOTJGB-YUMQZZPRSA-N
Compound name
(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

4536
Patents

271.16443 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.17171 163.2
[M+Na]+ 294.15365 164.6
[M-H]- 270.15715 163.3
[M+NH4]+ 289.19825 177.2
[M+K]+ 310.12759 164.2
[M+H-H2O]+ 254.16169 154.9
[M+HCOO]- 316.16263 183.0
[M+CH3COO]- 330.17828 207.1
[M+Na-2H]- 292.13910 159.5
[M]+ 271.16388 155.9
[M]- 271.16498 155.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe