CID 3075808

128887-77-4

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]+ 282.169996 164.9
[M+Na]+ 304.151938 172.5
[M-H]- 280.155444 168.0
[M+NH4]+ 299.196543 180.8
[M+K]+ 320.125878 170.0
[M+H-H2O]+ 264.159980 158.3
[M+HCOO]- 326.160921 181.1
[M+CH3COO]- 340.176571 197.6
[M+Na-2H]- 302.137386 166.6
[M]+ 281.16217142 165.1
[M]- 281.16326858 165.1
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.