CID 792992

Ethyl 4-hydrazinylbenzoate

Structural Information

Molecular Formula

C₉H₁₂N₂O₂

SMILES

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

InChI

InChI=1S/C9H12N2O2/c1-2-13-9(12)7-3-5-8(11-10)6-4-7/h3-6,11H,2,10H2,1H3

InChIKey

JYYDHGMTXHCSKZ-UHFFFAOYSA-N

Compound name

ethyl 4-hydrazinylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 233
Patents: 180.08987 Da
Monoisotopic Mass: 2.1
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]+	181.09715	137.7
[M+Na]+	203.07909	144.4
[M-H]-	179.08259	141.1
[M+NH4]+	198.12369	156.9
[M+K]+	219.05303	142.9
[M+H-H2O]+	163.08713	131.3
[M+HCOO]-	225.08807	163.4
[M+CH3COO]-	239.10372	185.0
[M+Na-2H]-	201.06454	143.5
[M]+	180.08932	136.9
[M]-	180.09042	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe