CID 43363917

4-(4-amino-3-methylphenoxy)benzonitrile

Structural Information

Molecular Formula
C14H12N2O
SMILES
CC1=C(C=CC(=C1)OC2=CC=C(C=C2)C#N)N
InChI
InChI=1S/C14H12N2O/c1-10-8-13(6-7-14(10)16)17-12-4-2-11(9-15)3-5-12/h2-8H,16H2,1H3
InChIKey
AVKCCTDAMNJPLQ-UHFFFAOYSA-N
Compound name
4-(4-amino-3-methylphenoxy)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.09496 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10224 153.2
[M+Na]+ 247.08418 167.0
[M+NH4]+ 242.12878 158.5
[M+K]+ 263.05812 156.3
[M-H]- 223.08768 150.9
[M+Na-2H]- 245.06963 159.5
[M]+ 224.09441 153.8
[M]- 224.09551 153.8
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.