CID 15556138

2-(4-propoxyphenyl)acetonitrile

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

CCCOC1=CC=C(C=C1)CC#N

InChI

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

InChIKey

GHTRHWRFHUGGOI-UHFFFAOYSA-N

Compound name

2-(4-propoxyphenyl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 175.09972 Da
Monoisotopic Mass: 2.4
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	139.1
[M+Na]+	198.08894	151.6
[M+NH4]+	193.13354	144.4
[M+K]+	214.06288	141.3
[M-H]-	174.09244	134.3
[M+Na-2H]-	196.07439	143.8
[M]+	175.09917	138.7
[M]-	175.10027	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe