CID 17762

2809-48-5

Structural Information

Molecular Formula
C16H22N2
SMILES
CC(CCN1CCCCC1)(C#N)C2=CC=CC=C2
InChI
InChI=1S/C16H22N2/c1-16(14-17,15-8-4-2-5-9-15)10-13-18-11-6-3-7-12-18/h2,4-5,8-9H,3,6-7,10-13H2,1H3
InChIKey
BHQDNXUEOQZESE-UHFFFAOYSA-N
Compound name
2-methyl-2-phenyl-4-piperidin-1-ylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

242.1783 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.18558 160.4
[M+Na]+ 265.16752 166.2
[M-H]- 241.17102 163.0
[M+NH4]+ 260.21212 174.2
[M+K]+ 281.14146 160.7
[M+H-H2O]+ 225.17556 145.8
[M+HCOO]- 287.17650 173.8
[M+CH3COO]- 301.19215 204.3
[M+Na-2H]- 263.15297 164.5
[M]+ 242.17775 151.1
[M]- 242.17885 151.1
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