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]+ 217.13355 148.8
[M+Na]+ 239.11549 156.8
[M-H]- 215.11899 151.2
[M+NH4]+ 234.16009 163.4
[M+K]+ 255.08943 151.4
[M+H-H2O]+ 199.12353 134.9
[M+HCOO]- 261.12447 163.5
[M+CH3COO]- 275.14012 197.3
[M+Na-2H]- 237.10094 152.4
[M]+ 216.12572 139.4
[M]- 216.12682 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