CID 74321265

(3r,4r)-1-benzyl-3-hydroxy-piperidine-4-carbonitrile

Structural Information

Molecular Formula
C13H16N2O
SMILES
C1CN(CC(C1C#N)O)CC2=CC=CC=C2
InChI
InChI=1S/C13H16N2O/c14-8-12-6-7-15(10-13(12)16)9-11-4-2-1-3-5-11/h1-5,12-13,16H,6-7,9-10H2
InChIKey
XZYDMOVDIBVPOL-UHFFFAOYSA-N
Compound name
1-benzyl-3-hydroxypiperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

216.12627 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.133546 148.8
[M+Na]+ 239.115488 156.8
[M-H]- 215.118994 151.2
[M+NH4]+ 234.160093 163.4
[M+K]+ 255.089428 151.4
[M+H-H2O]+ 199.123530 134.9
[M+HCOO]- 261.124471 163.5
[M+CH3COO]- 275.140121 197.3
[M+Na-2H]- 237.100936 152.4
[M]+ 216.12572142 139.4
[M]- 216.12681858 139.4
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