CID 7009612

15706-88-4

Structural Information

Molecular Formula

C₁₀H₁₉N₅O₅

SMILES

C(C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)N)CN=C(N)N

InChI

InChI=1S/C10H19N5O5/c11-5(2-1-3-14-10(12)13)8(18)15-6(9(19)20)4-7(16)17/h5-6H,1-4,11H2,(H,15,18)(H,16,17)(H,19,20)(H4,12,13,14)/t5-,6-/m0/s1

InChIKey

SIFXMYAHXJGAFC-WDSKDSINSA-N

Compound name

(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanedioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2275
Patents: 289.1386 Da
Monoisotopic Mass: -5.3
XlogP (predicted)

Profile

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]+	290.145876	165.6
[M+Na]+	312.127818	165.8
[M-H]-	288.131324	162.4
[M+NH4]+	307.172423	176.9
[M+K]+	328.101758	167.1
[M+H-H2O]+	272.135860	157.4
[M+HCOO]-	334.136801	185.5
[M+CH3COO]-	348.152451	213.3
[M+Na-2H]-	310.113266	160.9
[M]+	289.13805142	159.4
[M]-	289.13914858	159.4

Literature stripe

literature stripe

Patent stripe

patents stripe