CID 24701557

1017040-89-9

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 150.7
[M+Na]+ 247.08418 160.4
[M-H]- 223.08768 154.3
[M+NH4]+ 242.12878 165.3
[M+K]+ 263.05812 155.0
[M+H-H2O]+ 207.09222 135.8
[M+HCOO]- 269.09316 170.1
[M+CH3COO]- 283.10881 200.4
[M+Na-2H]- 245.06963 157.2
[M]+ 224.09441 146.5
[M]- 224.09551 146.5
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.