CID 408928

Methyl 4-hydrazinobenzoate hydrochloride

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

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

InChI

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

InChIKey

PUVXAQCVNJUHKG-UHFFFAOYSA-N

Compound name

methyl 4-hydrazinylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 385
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]+	167.08151	133.1
[M+Na]+	189.06345	140.2
[M-H]-	165.06695	136.7
[M+NH4]+	184.10805	152.9
[M+K]+	205.03739	139.0
[M+H-H2O]+	149.07149	126.9
[M+HCOO]-	211.07243	159.1
[M+CH3COO]-	225.08808	182.0
[M+Na-2H]-	187.04890	139.4
[M]+	166.07368	132.0
[M]-	166.07478	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe