CID 154926010

Ns00000902

Structural Information

Molecular Formula
C4H7N3O3
SMILES
C(C=O)N/C(=C/[N+](=O)[O-])/N
InChI
InChI=1S/C4H7N3O3/c5-4(3-7(9)10)6-1-2-8/h2-3,6H,1,5H2/b4-3+
InChIKey
ZDKPEHORJRASFL-ONEGZZNKSA-N
Compound name
2-[[(E)-1-amino-2-nitroethenyl]amino]acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.04874 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.056016 125.3
[M+Na]+ 168.037958 131.1
[M-H]- 144.041464 125.3
[M+NH4]+ 163.082563 144.7
[M+K]+ 184.011898 126.7
[M+H-H2O]+ 128.046000 124.5
[M+HCOO]- 190.046941 152.0
[M+CH3COO]- 204.062591 170.9
[M+Na-2H]- 166.023406 132.5
[M]+ 145.04819142 121.2
[M]- 145.04928858 121.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.