CID 3076671

3-methyl-alpha-((2-(4-piperidinyl)ethoxy)methyl)benzenemethanol

Structural Information

Molecular Formula
C16H25NO2
SMILES
CC1=CC(=CC=C1)C(COCCC2CCNCC2)O
InChI
InChI=1S/C16H25NO2/c1-13-3-2-4-15(11-13)16(18)12-19-10-7-14-5-8-17-9-6-14/h2-4,11,14,16-18H,5-10,12H2,1H3
InChIKey
OHWOAKUZVBHOEO-UHFFFAOYSA-N
Compound name
1-(3-methylphenyl)-2-(2-piperidin-4-ylethoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.18854 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.195816 165.2
[M+Na]+ 286.177758 167.4
[M-H]- 262.181264 166.1
[M+NH4]+ 281.222363 178.4
[M+K]+ 302.151698 163.3
[M+H-H2O]+ 246.185800 156.9
[M+HCOO]- 308.186741 179.6
[M+CH3COO]- 322.202391 192.6
[M+Na-2H]- 284.163206 166.3
[M]+ 263.18799142 160.0
[M]- 263.18908858 160.0
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

No patent data available for this compound.