CID 9555282

Nsc287501

Structural Information

Molecular Formula
C4H9N2O5P
SMILES
COP(=O)(N/N=C/C(=O)O)OC
InChI
InChI=1S/C4H9N2O5P/c1-10-12(9,11-2)6-5-3-4(7)8/h3H,1-2H3,(H,6,9)(H,7,8)/b5-3+
InChIKey
AAXCLILCLOULSS-HWKANZROSA-N
Compound name
(2E)-2-(dimethoxyphosphorylhydrazinylidene)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.0249 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03218 136.7
[M+Na]+ 219.01412 143.2
[M-H]- 195.01762 136.1
[M+NH4]+ 214.05872 155.7
[M+K]+ 234.98806 144.7
[M+H-H2O]+ 179.02216 129.1
[M+HCOO]- 241.02310 167.5
[M+CH3COO]- 255.03875 185.9
[M+Na-2H]- 216.99957 141.7
[M]+ 196.02435 141.0
[M]- 196.02545 141.0
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.