CID 12089

4-hydrazinobenzoic acid

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

C1=CC(=CC=C1C(=O)O)NN

InChI

InChI=1S/C7H8N2O2/c8-9-6-3-1-5(2-4-6)7(10)11/h1-4,9H,8H2,(H,10,11)

InChIKey

PCNFLKVWBDNNOW-UHFFFAOYSA-N

Compound name

4-hydrazinylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 14
References: 2529
Patents: 152.05858 Da
Monoisotopic Mass: -0.9
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]+	153.06586	128.7
[M+Na]+	175.04780	135.7
[M-H]-	151.05130	131.0
[M+NH4]+	170.09240	148.2
[M+K]+	191.02174	133.8
[M+H-H2O]+	135.05584	122.9
[M+HCOO]-	197.05678	153.5
[M+CH3COO]-	211.07243	177.1
[M+Na-2H]-	173.03325	135.0
[M]+	152.05803	125.4
[M]-	152.05913	125.4

Literature stripe

literature stripe

Patent stripe

patents stripe