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

1180
Patents

131.06947 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.07675 127.1
[M+Na]+ 154.05869 132.4
[M-H]- 130.06219 126.7
[M+NH4]+ 149.10329 147.2
[M+K]+ 170.03263 133.1
[M+H-H2O]+ 114.06673 121.4
[M+HCOO]- 176.06767 151.1
[M+CH3COO]- 190.08332 178.9
[M+Na-2H]- 152.04414 129.7
[M]+ 131.06892 122.4
[M]- 131.07002 122.4
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