CID 3246226

1758-74-3

Structural Information

Molecular Formula

C₄H₉N₃O₂

SMILES

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

InChI

InChI=1S/C4H9N3O2/c1-2(3(8)9)7-4(5)6/h2H,1H3,(H,8,9)(H4,5,6,7)/t2-/m0/s1

InChIKey

DVNFLGLGNLXITH-REOHCLBHSA-N

Compound name

(2S)-2-(diaminomethylideneamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 971
Patents: 131.06947 Da
Monoisotopic Mass: -1.2
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]+	132.07675	127.2
[M+Na]+	154.05869	132.8
[M+NH4]+	149.10329	132.9
[M+K]+	170.03263	131.3
[M-H]-	130.06219	126.0
[M+Na-2H]-	152.04414	128.5
[M]+	131.06892	126.8
[M]-	131.07002	126.8

Literature stripe

literature stripe

Patent stripe

patents stripe