CID 279437

4-(hydrazinecarbonyl)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: 228
Patents: 180.0535 Da
Monoisotopic Mass: -2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	181.06078	136.8
[M+Na]+	203.04272	145.8
[M+NH4]+	198.08732	143.1
[M+K]+	219.01666	142.6
[M-H]-	179.04622	137.5
[M+Na-2H]-	201.02817	141.4
[M]+	180.05295	137.7
[M]-	180.05405	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe