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
2
Annotation Hits

12
References

354
Patents

191.13101 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 143.5
[M+Na]+ 214.120228 148.3
[M-H]- 190.123734 146.5
[M+NH4]+ 209.164833 160.6
[M+K]+ 230.094168 145.0
[M+H-H2O]+ 174.128270 135.9
[M+HCOO]- 236.129211 161.6
[M+CH3COO]- 250.144861 180.2
[M+Na-2H]- 212.105676 148.5
[M]+ 191.13046142 138.0
[M]- 191.13155858 138.0
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