CID 11240687

Methyl 3-hydrazinylbenzoate hydrochloride

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

COC(=O)C1=CC(=CC=C1)NN

InChI

InChI=1S/C8H10N2O2/c1-12-8(11)6-3-2-4-7(5-6)10-9/h2-5,10H,9H2,1H3

InChIKey

FQJPGBZNJWNVQO-UHFFFAOYSA-N

Compound name

methyl 3-hydrazinylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 130
Patents: 166.07423 Da
Monoisotopic Mass: 1.5
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]+	167.081506	133.1
[M+Na]+	189.063448	140.2
[M-H]-	165.066954	136.7
[M+NH4]+	184.108053	152.9
[M+K]+	205.037388	139.0
[M+H-H2O]+	149.071490	126.9
[M+HCOO]-	211.072431	159.1
[M+CH3COO]-	225.088081	182.0
[M+Na-2H]-	187.048896	139.4
[M]+	166.07368142	132.0
[M]-	166.07477858	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe