CID 19696500

(3-benzylpiperidin-3-yl)methanol

Structural Information

Molecular Formula
C13H19NO
SMILES
C1CC(CNC1)(CC2=CC=CC=C2)CO
InChI
InChI=1S/C13H19NO/c15-11-13(7-4-8-14-10-13)9-12-5-2-1-3-6-12/h1-3,5-6,14-15H,4,7-11H2
InChIKey
QFOBMHWTGVMOKP-UHFFFAOYSA-N
Compound name
(3-benzylpiperidin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

205.14667 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.153946 149.3
[M+Na]+ 228.135888 153.3
[M-H]- 204.139394 150.8
[M+NH4]+ 223.180493 166.9
[M+K]+ 244.109828 149.1
[M+H-H2O]+ 188.143930 142.1
[M+HCOO]- 250.144871 165.6
[M+CH3COO]- 264.160521 179.1
[M+Na-2H]- 226.121336 154.9
[M]+ 205.14612142 142.2
[M]- 205.14721858 142.2
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