CID 18803

2-propanone, o-(phenylmethyl)oxime

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CC(=NOCC1=CC=CC=C1)C

InChI

InChI=1S/C10H13NO/c1-9(2)11-12-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3

InChIKey

IGLNBLSWLLNOLF-UHFFFAOYSA-N

Compound name

N-phenylmethoxypropan-2-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 163.09972 Da
Monoisotopic Mass: 2.0
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]+	164.10700	134.7
[M+Na]+	186.08894	141.4
[M-H]-	162.09244	139.6
[M+NH4]+	181.13354	155.8
[M+K]+	202.06288	140.5
[M+H-H2O]+	146.09698	128.4
[M+HCOO]-	208.09792	161.0
[M+CH3COO]-	222.11357	183.2
[M+Na-2H]-	184.07439	142.0
[M]+	163.09917	136.2
[M]-	163.10027	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe