CID 778754

4-phenylimino-2-pentanone

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

CC(=NC1=CC=CC=C1)CC(=O)C

InChI

InChI=1S/C11H13NO/c1-9(8-10(2)13)12-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3

InChIKey

JHTINWQRILLZLO-UHFFFAOYSA-N

Compound name

4-phenyliminopentan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 134
Patents: 175.09972 Da
Monoisotopic Mass: 1.6
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]+	176.10700	138.4
[M+Na]+	198.08894	144.6
[M-H]-	174.09244	143.2
[M+NH4]+	193.13354	158.8
[M+K]+	214.06288	143.4
[M+H-H2O]+	158.09698	132.0
[M+HCOO]-	220.09792	163.5
[M+CH3COO]-	234.11357	186.1
[M+Na-2H]-	196.07439	143.8
[M]+	175.09917	138.8
[M]-	175.10027	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe