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 160.0
[M+Na]+ 279.14678 167.8
[M-H]- 255.15028 163.3
[M+NH4]+ 274.19138 175.3
[M+K]+ 295.12072 161.4
[M+H-H2O]+ 239.15482 145.6
[M+HCOO]- 301.15576 175.4
[M+CH3COO]- 315.17141 205.5
[M+Na-2H]- 277.13223 164.1
[M]+ 256.15701 152.5
[M]- 256.15811 152.5
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.