CID 9587872

N-(carboxyethylidene)nitroaminoguanidine

Structural Information

Molecular Formula
C4H7N5O4
SMILES
C(/C=N/N=C(\N)/N[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C4H7N5O4/c5-4(8-9(12)13)7-6-2-1-3(10)11/h2H,1H2,(H,10,11)(H3,5,7,8)/b6-2+
InChIKey
SIVWDAFHJDEJOK-QHHAFSJGSA-N
Compound name
(3E)-3-[(E)-[amino(nitramido)methylidene]hydrazinylidene]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.0498 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.05708 131.2
[M+Na]+ 212.03902 135.5
[M-H]- 188.04252 132.4
[M+NH4]+ 207.08362 148.5
[M+K]+ 228.01296 132.5
[M+H-H2O]+ 172.04706 128.8
[M+HCOO]- 234.04800 160.6
[M+CH3COO]- 248.06365 184.4
[M+Na-2H]- 210.02447 138.6
[M]+ 189.04925 127.0
[M]- 189.05035 127.0
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.