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

8
Patents

221.12045 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12773 157.0
[M+Na]+ 244.10967 165.0
[M-H]- 220.11317 161.7
[M+NH4]+ 239.15427 172.7
[M+K]+ 260.08361 159.1
[M+H-H2O]+ 204.11771 143.1
[M+HCOO]- 266.11865 175.0
[M+CH3COO]- 280.13430 202.2
[M+Na-2H]- 242.09512 160.6
[M]+ 221.11990 150.3
[M]- 221.12100 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