CID 112687

Benzoic acid, (2-methylpropylidene)hydrazide

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

CC(C)C=NNC(=O)C1=CC=CC=C1

InChI

InChI=1S/C11H14N2O/c1-9(2)8-12-13-11(14)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,13,14)

InChIKey

ISSKOELQNRHIIL-UHFFFAOYSA-N

Compound name

N-(2-methylpropylideneamino)benzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6
Patents: 190.11061 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]+	191.11789	143.9
[M+Na]+	213.09983	154.4
[M+NH4]+	208.14443	151.8
[M+K]+	229.07377	148.2
[M-H]-	189.10333	146.8
[M+Na-2H]-	211.08528	150.6
[M]+	190.11006	145.9
[M]-	190.11116	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe