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
1
Annotation Hits

8
References

1800
Patents

146.08037 Da
Monoisotopic Mass

-4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.08765 130.7
[M+Na]+ 169.06959 134.6
[M+NH4]+ 164.11419 135.6
[M+K]+ 185.04353 133.8
[M-H]- 145.07309 129.4
[M+Na-2H]- 167.05504 131.2
[M]+ 146.07982 129.9
[M]- 146.08092 129.9
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