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]+ 264.19582 165.2
[M+Na]+ 286.17776 167.4
[M-H]- 262.18126 166.1
[M+NH4]+ 281.22236 178.4
[M+K]+ 302.15170 163.3
[M+H-H2O]+ 246.18580 156.9
[M+HCOO]- 308.18674 179.6
[M+CH3COO]- 322.20239 192.6
[M+Na-2H]- 284.16321 166.3
[M]+ 263.18799 160.0
[M]- 263.18909 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.