CID 11790268

186651-01-4

Structural Information

Molecular Formula
C12H14N2O
SMILES
C1CC(CN(C1)C2=CC=C(C=C2)C#N)O
InChI
InChI=1S/C12H14N2O/c13-8-10-3-5-11(6-4-10)14-7-1-2-12(15)9-14/h3-6,12,15H,1-2,7,9H2
InChIKey
SNVGETHPJOYMHG-UHFFFAOYSA-N
Compound name
4-(3-hydroxypiperidin-1-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

202.11061 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.117886 145.0
[M+Na]+ 225.099828 153.3
[M-H]- 201.103334 147.5
[M+NH4]+ 220.144433 160.1
[M+K]+ 241.073768 148.2
[M+H-H2O]+ 185.107870 131.3
[M+HCOO]- 247.108811 160.0
[M+CH3COO]- 261.124461 194.6
[M+Na-2H]- 223.085276 149.0
[M]+ 202.11006142 135.3
[M]- 202.11115858 135.3
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