CID 2976201

4-[(2-methylphenyl)methoxy]benzonitrile

Structural Information

Molecular Formula
C15H13NO
SMILES
CC1=CC=CC=C1COC2=CC=C(C=C2)C#N
InChI
InChI=1S/C15H13NO/c1-12-4-2-3-5-14(12)11-17-15-8-6-13(10-16)7-9-15/h2-9H,11H2,1H3
InChIKey
OJVQYBIHEFZZEL-UHFFFAOYSA-N
Compound name
4-[(2-methylphenyl)methoxy]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

223.09972 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10700 152.6
[M+Na]+ 246.08894 163.2
[M-H]- 222.09244 158.2
[M+NH4]+ 241.13354 169.0
[M+K]+ 262.06288 157.5
[M+H-H2O]+ 206.09698 139.1
[M+HCOO]- 268.09792 173.1
[M+CH3COO]- 282.11357 201.8
[M+Na-2H]- 244.07439 157.9
[M]+ 223.09917 148.8
[M]- 223.10027 148.8
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

patents stripe