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

26
Patents

205.14667 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.15395 149.3
[M+Na]+ 228.13589 153.3
[M-H]- 204.13939 150.8
[M+NH4]+ 223.18049 166.9
[M+K]+ 244.10983 149.1
[M+H-H2O]+ 188.14393 142.1
[M+HCOO]- 250.14487 165.6
[M+CH3COO]- 264.16052 179.1
[M+Na-2H]- 226.12134 154.9
[M]+ 205.14612 142.2
[M]- 205.14722 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