CID 21149863

1-piperidinebutyronitrile, 4-formyl-4-phenyl-

Structural Information

Molecular Formula
C16H20N2O
SMILES
C1CN(CCC1(C=O)C2=CC=CC=C2)CCCC#N
InChI
InChI=1S/C16H20N2O/c17-10-4-5-11-18-12-8-16(14-19,9-13-18)15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-9,11-13H2
InChIKey
MJJFFKAQFPGNNF-UHFFFAOYSA-N
Compound name
4-(4-formyl-4-phenylpiperidin-1-yl)butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.15756 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.16484 163.3
[M+Na]+ 279.14678 175.1
[M+NH4]+ 274.19138 169.1
[M+K]+ 295.12072 162.3
[M-H]- 255.15028 159.3
[M+Na-2H]- 277.13223 168.8
[M]+ 256.15701 163.2
[M]- 256.15811 163.2
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

No patent data available for this compound.