CID 211060

22156-68-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

222.11569 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.122966 159.6
[M+Na]+ 245.104908 168.8
[M-H]- 221.108414 164.5
[M+NH4]+ 240.149513 175.2
[M+K]+ 261.078848 162.8
[M+H-H2O]+ 205.112950 146.1
[M+HCOO]- 267.113891 178.6
[M+CH3COO]- 281.129541 203.1
[M+Na-2H]- 243.090356 164.9
[M]+ 222.11514142 152.0
[M]- 222.11623858 152.0
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

patents stripe