CID 3022093

93145-34-7

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]+ 248.200896 161.1
[M+Na]+ 270.182838 165.3
[M-H]- 246.186344 165.2
[M+NH4]+ 265.227443 176.9
[M+K]+ 286.156778 162.4
[M+H-H2O]+ 230.190880 152.7
[M+HCOO]- 292.191821 178.3
[M+CH3COO]- 306.207471 196.8
[M+Na-2H]- 268.168286 162.4
[M]+ 247.19307142 158.6
[M]- 247.19416858 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.