CID 274373

2-methyl-3,3-diphenylpropanenitrile

Structural Information

Molecular Formula
C16H15N
SMILES
CC(C#N)C(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C16H15N/c1-13(12-17)16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16H,1H3
InChIKey
NLLSEVOPCBGTKR-UHFFFAOYSA-N
Compound name
2-methyl-3,3-diphenylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

221.12045 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.127726 157.0
[M+Na]+ 244.109668 165.0
[M-H]- 220.113174 161.7
[M+NH4]+ 239.154273 172.7
[M+K]+ 260.083608 159.1
[M+H-H2O]+ 204.117710 143.1
[M+HCOO]- 266.118651 175.0
[M+CH3COO]- 280.134301 202.2
[M+Na-2H]- 242.095116 160.6
[M]+ 221.11990142 150.3
[M]- 221.12099858 150.3
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