CID 279437

4-(hydrazinocarbonyl)benzoic acid

Structural Information

Molecular Formula
C8H8N2O3
SMILES
C1=CC(=CC=C1C(=O)NN)C(=O)O
InChI
InChI=1S/C8H8N2O3/c9-10-7(11)5-1-3-6(4-2-5)8(12)13/h1-4H,9H2,(H,10,11)(H,12,13)
InChIKey
MTVPAGODJIOVSB-UHFFFAOYSA-N
Compound name
4-(hydrazinecarbonyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

259
Patents

180.0535 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.060776 135.7
[M+Na]+ 203.042718 142.3
[M-H]- 179.046224 137.9
[M+NH4]+ 198.087323 153.9
[M+K]+ 219.016658 140.7
[M+H-H2O]+ 163.050760 129.6
[M+HCOO]- 225.051701 159.6
[M+CH3COO]- 239.067351 181.8
[M+Na-2H]- 201.028166 140.2
[M]+ 180.05295142 132.7
[M]- 180.05404858 132.7
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