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]+ 243.185576 160.4
[M+Na]+ 265.167518 166.2
[M-H]- 241.171024 163.0
[M+NH4]+ 260.212123 174.2
[M+K]+ 281.141458 160.7
[M+H-H2O]+ 225.175560 145.8
[M+HCOO]- 287.176501 173.8
[M+CH3COO]- 301.192151 204.3
[M+Na-2H]- 263.152966 164.5
[M]+ 242.17775142 151.1
[M]- 242.17884858 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