CID 160635

1482-99-1

Structural Information

Molecular Formula
C4H10N4O2
SMILES
C([C@@H](C(=O)O)N)N=C(N)N
InChI
InChI=1S/C4H10N4O2/c5-2(3(9)10)1-8-4(6)7/h2H,1,5H2,(H,9,10)(H4,6,7,8)/t2-/m0/s1
InChIKey
XNBJHKABANTVCP-REOHCLBHSA-N
Compound name
(2S)-2-amino-3-(diaminomethylideneamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

810
Patents

146.08037 Da
Monoisotopic Mass

-4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.087646 130.2
[M+Na]+ 169.069588 134.6
[M-H]- 145.073094 129.2
[M+NH4]+ 164.114193 148.9
[M+K]+ 185.043528 135.1
[M+H-H2O]+ 129.077630 123.8
[M+HCOO]- 191.078571 154.5
[M+CH3COO]- 205.094221 183.9
[M+Na-2H]- 167.055036 131.9
[M]+ 146.07982142 123.7
[M]- 146.08091858 123.7
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