CID 24701557

2-[4-(pyridin-4-ylmethoxy)phenyl]acetonitrile

Structural Information

Molecular Formula
C14H12N2O
SMILES
C1=CC(=CC=C1CC#N)OCC2=CC=NC=C2
InChI
InChI=1S/C14H12N2O/c15-8-5-12-1-3-14(4-2-12)17-11-13-6-9-16-10-7-13/h1-4,6-7,9-10H,5,11H2
InChIKey
UKXCCQMTBCFURV-UHFFFAOYSA-N
Compound name
2-[4-(pyridin-4-ylmethoxy)phenyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.09496 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10224 153.6
[M+Na]+ 247.08418 168.0
[M+NH4]+ 242.12878 158.8
[M+K]+ 263.05812 156.5
[M-H]- 223.08768 150.5
[M+Na-2H]- 245.06963 160.6
[M]+ 224.09441 154.1
[M]- 224.09551 154.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.