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 154.5
[M+Na]+ 247.08418 165.3
[M-H]- 223.08768 160.0
[M+NH4]+ 242.12878 170.5
[M+K]+ 263.05812 159.9
[M+H-H2O]+ 207.09222 141.0
[M+HCOO]- 269.09316 175.5
[M+CH3COO]- 283.10881 204.0
[M+Na-2H]- 245.06963 158.7
[M]+ 224.09441 149.1
[M]- 224.09551 149.1
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.