CID 3075808

Brn 4295327

Structural Information

Molecular Formula
C15H23NO4
SMILES
CC1(CN(C(CC1O)C2=CC(=C(C=C2)OC)OC)C)O
InChI
InChI=1S/C15H23NO4/c1-15(18)9-16(2)11(8-14(15)17)10-5-6-12(19-3)13(7-10)20-4/h5-7,11,14,17-18H,8-9H2,1-4H3
InChIKey
LHTSOEGLKKTJCD-UHFFFAOYSA-N
Compound name
6-(3,4-dimethoxyphenyl)-1,3-dimethylpiperidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.16272 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.17000 165.6
[M+Na]+ 304.15194 177.4
[M+NH4]+ 299.19654 173.6
[M+K]+ 320.12588 170.3
[M-H]- 280.15544 167.5
[M+Na-2H]- 302.13739 171.4
[M]+ 281.16217 167.9
[M]- 281.16327 167.9
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.