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]+ 250.180156 158.9
[M+Na]+ 272.162098 166.8
[M-H]- 248.165604 162.0
[M+NH4]+ 267.206703 176.3
[M+K]+ 288.136038 163.0
[M+H-H2O]+ 232.170140 152.7
[M+HCOO]- 294.171081 174.7
[M+CH3COO]- 308.186731 193.2
[M+Na-2H]- 270.147546 160.3
[M]+ 249.17233142 156.1
[M]- 249.17342858 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.