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

9
Patents

223.09972 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.106996 152.6
[M+Na]+ 246.088938 163.2
[M-H]- 222.092444 158.2
[M+NH4]+ 241.133543 169.0
[M+K]+ 262.062878 157.5
[M+H-H2O]+ 206.096980 139.1
[M+HCOO]- 268.097921 173.1
[M+CH3COO]- 282.113571 201.8
[M+Na-2H]- 244.074386 157.9
[M]+ 223.09917142 148.8
[M]- 223.10026858 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