CID 418572

Einecs 280-698-3

Structural Information

Molecular Formula
C15H14N2
SMILES
CC1=CC(=CC=C1)C(C#N)C2=CC=C(C=C2)N
InChI
InChI=1S/C15H14N2/c1-11-3-2-4-13(9-11)15(10-16)12-5-7-14(17)8-6-12/h2-9,15H,17H2,1H3
InChIKey
KQMBCDRWFYLGBF-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)-2-(3-methylphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.11569 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.12297 155.4
[M+Na]+ 245.10491 168.9
[M+NH4]+ 240.14951 161.0
[M+K]+ 261.07885 157.9
[M-H]- 221.10841 153.4
[M+Na-2H]- 243.09036 161.7
[M]+ 222.11514 156.0
[M]- 222.11624 156.0
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.