CID 146115820

2411201-03-9

Structural Information

Molecular Formula
C15H21NO2
SMILES
CC1CCCN(C1)C2=CC=CC=C2OCC3CO3
InChI
InChI=1S/C15H21NO2/c1-12-5-4-8-16(9-12)14-6-2-3-7-15(14)18-11-13-10-17-13/h2-3,6-7,12-13H,4-5,8-11H2,1H3
InChIKey
YHYZEYKUYOFQSE-UHFFFAOYSA-N
Compound name
3-methyl-1-[2-(oxiran-2-ylmethoxy)phenyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.15723 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 159.1
[M+Na]+ 270.14645 166.1
[M-H]- 246.14995 167.8
[M+NH4]+ 265.19105 168.8
[M+K]+ 286.12039 164.1
[M+H-H2O]+ 230.15449 150.0
[M+HCOO]- 292.15543 177.6
[M+CH3COO]- 306.17108 196.3
[M+Na-2H]- 268.13190 163.2
[M]+ 247.15668 160.0
[M]- 247.15778 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.