CID 154190

Mtba

Structural Information

Molecular Formula

C₈H₉N₃O₂

SMILES

CN=NNC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C8H9N3O2/c1-9-11-10-7-4-2-6(3-5-7)8(12)13/h2-5H,1H3,(H,9,10)(H,12,13)

InChIKey

BOCQEKBKBUOBCR-UHFFFAOYSA-N

Compound name

4-(2-methyliminohydrazinyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 14
References: 463
Patents: 179.06947 Da
Monoisotopic Mass: 1.9
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]+	180.07675	136.9
[M+Na]+	202.05869	146.9
[M+NH4]+	197.10329	144.2
[M+K]+	218.03263	141.8
[M-H]-	178.06219	139.8
[M+Na-2H]-	200.04414	143.7
[M]+	179.06892	138.7
[M]-	179.07002	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe