CID 3022093

1-(2-methoxy-alpha,5-dimethylphenethyl)piperidine hydrochloride

Structural Information

Molecular Formula
C16H25NO
SMILES
CC1=CC(=C(C=C1)OC)CC(C)N2CCCCC2
InChI
InChI=1S/C16H25NO/c1-13-7-8-16(18-3)15(11-13)12-14(2)17-9-5-4-6-10-17/h7-8,11,14H,4-6,9-10,12H2,1-3H3
InChIKey
WGRNQWMVINGXRK-UHFFFAOYSA-N
Compound name
1-[1-(2-methoxy-5-methylphenyl)propan-2-yl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.19362 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.20090 161.1
[M+Na]+ 270.18284 165.3
[M-H]- 246.18634 165.2
[M+NH4]+ 265.22744 176.9
[M+K]+ 286.15678 162.4
[M+H-H2O]+ 230.19088 152.7
[M+HCOO]- 292.19182 178.3
[M+CH3COO]- 306.20747 196.8
[M+Na-2H]- 268.16829 162.4
[M]+ 247.19307 158.6
[M]- 247.19417 158.6
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.