CID 288219

3-methoxy-4-methylphenylacetonitrile

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

CC1=C(C=C(C=C1)CC#N)OC

InChI

InChI=1S/C10H11NO/c1-8-3-4-9(5-6-11)7-10(8)12-2/h3-4,7H,5H2,1-2H3

InChIKey

KRGXHARSWLJCGO-UHFFFAOYSA-N

Compound name

2-(3-methoxy-4-methylphenyl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 76
Patents: 161.08406 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]+	162.09134	133.6
[M+Na]+	184.07328	146.7
[M+NH4]+	179.11788	139.2
[M+K]+	200.04722	136.8
[M-H]-	160.07678	129.0
[M+Na-2H]-	182.05873	138.5
[M]+	161.08351	133.4
[M]-	161.08461	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe