CID 24807591

1013333-20-4

Structural Information

Molecular Formula
C13H16N2O
SMILES
C1CN(C[C@@H]([C@H]1C#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/t12-,13+/m1/s1
InChIKey
XZYDMOVDIBVPOL-OLZOCXBDSA-N
Compound name
(3R,4R)-1-benzyl-3-hydroxypiperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 152.9
[M+Na]+ 239.11549 164.9
[M+NH4]+ 234.16009 157.8
[M+K]+ 255.08943 154.7
[M-H]- 215.11899 148.9
[M+Na-2H]- 237.10094 157.0
[M]+ 216.12572 152.6
[M]- 216.12682 152.6
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