CID 333414

Gly-arg

Structural Information

Molecular Formula

C₈H₁₇N₅O₃

SMILES

C(CC(C(=O)O)NC(=O)CN)CN=C(N)N

InChI

InChI=1S/C8H17N5O3/c9-4-6(14)13-5(7(15)16)2-1-3-12-8(10)11/h5H,1-4,9H2,(H,13,14)(H,15,16)(H4,10,11,12)

InChIKey

JLXVRFDTDUGQEE-UHFFFAOYSA-N

Compound name

2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 5394
Patents: 231.13313 Da
Monoisotopic Mass: -4.9
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]+	232.14041	153.6
[M+Na]+	254.12235	154.6
[M+NH4]+	249.16695	156.3
[M+K]+	270.09629	154.6
[M-H]-	230.12585	151.3
[M+Na-2H]-	252.10780	151.8
[M]+	231.13258	151.8
[M]-	231.13368	151.8

Literature stripe

literature stripe

Patent stripe

patents stripe