CID 12062

3,5-diaminobenzoic acid

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

C1=C(C=C(C=C1N)N)C(=O)O

InChI

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

InChIKey

UENRXLSRMCSUSN-UHFFFAOYSA-N

Compound name

3,5-diaminobenzoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 36
References: 15604
Patents: 152.05858 Da
Monoisotopic Mass: 0.2
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]+	153.06586	129.5
[M+Na]+	175.04780	139.6
[M+NH4]+	170.09240	136.7
[M+K]+	191.02174	135.8
[M-H]-	151.05130	131.1
[M+Na-2H]-	173.03325	134.7
[M]+	152.05803	131.0
[M]-	152.05913	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe