CID 85773

1-benzylpiperidin-3-ol

Structural Information

Molecular Formula
C12H17NO
SMILES
C1CC(CN(C1)CC2=CC=CC=C2)O
InChI
InChI=1S/C12H17NO/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2
InChIKey
UTTCOAGPVHRUFO-UHFFFAOYSA-N
Compound name
1-benzylpiperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

289
Patents

191.13101 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 144.4
[M+Na]+ 214.12023 157.2
[M+NH4]+ 209.16483 153.5
[M+K]+ 230.09417 149.7
[M-H]- 190.12373 148.2
[M+Na-2H]- 212.10568 152.2
[M]+ 191.13046 147.2
[M]- 191.13156 147.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe