CID 561222

2-benzyloxyphenylacetonitrile

Structural Information

Molecular Formula

C₁₅H₁₃NO

SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2CC#N

InChI

InChI=1S/C15H13NO/c16-11-10-14-8-4-5-9-15(14)17-12-13-6-2-1-3-7-13/h1-9H,10,12H2

InChIKey

WAQPXLOPRNLIGZ-UHFFFAOYSA-N

Compound name

2-(2-phenylmethoxyphenyl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 223.09972 Da
Monoisotopic Mass: 2.2
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]+	224.10700	152.8
[M+Na]+	246.08894	162.6
[M-H]-	222.09244	158.0
[M+NH4]+	241.13354	168.9
[M+K]+	262.06288	156.7
[M+H-H2O]+	206.09698	139.0
[M+HCOO]-	268.09792	173.3
[M+CH3COO]-	282.11357	200.8
[M+Na-2H]-	244.07439	158.8
[M]+	223.09917	148.7
[M]-	223.10027	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe