CID 3075806

128887-74-1

Structural Information

Molecular Formula
C15H23NO2
SMILES
CC1=CC(=C(C=C1)C2CC(C(CN2C)(C)O)O)C
InChI
InChI=1S/C15H23NO2/c1-10-5-6-12(11(2)7-10)13-8-14(17)15(3,18)9-16(13)4/h5-7,13-14,17-18H,8-9H2,1-4H3
InChIKey
BXHUHAQDRAWEPJ-UHFFFAOYSA-N
Compound name
6-(2,4-dimethylphenyl)-1,3-dimethylpiperidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.17288 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.18016 158.9
[M+Na]+ 272.16210 166.8
[M-H]- 248.16560 162.0
[M+NH4]+ 267.20670 176.3
[M+K]+ 288.13604 163.0
[M+H-H2O]+ 232.17014 152.7
[M+HCOO]- 294.17108 174.7
[M+CH3COO]- 308.18673 193.2
[M+Na-2H]- 270.14755 160.3
[M]+ 249.17233 156.1
[M]- 249.17343 156.1
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.