CID 3075807

128887-76-3

Structural Information

Molecular Formula
C16H25NO2
SMILES
CC1=CC(=C(C=C1C)C2CC(C(CN2C)(C)O)O)C
InChI
InChI=1S/C16H25NO2/c1-10-6-12(3)13(7-11(10)2)14-8-15(18)16(4,19)9-17(14)5/h6-7,14-15,18-19H,8-9H2,1-5H3
InChIKey
UOTKLIXLOARMGK-UHFFFAOYSA-N
Compound name
1,3-dimethyl-6-(2,4,5-trimethylphenyl)piperidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.18854 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.19582 162.5
[M+Na]+ 286.17776 170.9
[M-H]- 262.18126 165.9
[M+NH4]+ 281.22236 179.7
[M+K]+ 302.15170 167.0
[M+H-H2O]+ 246.18580 156.4
[M+HCOO]- 308.18674 178.0
[M+CH3COO]- 322.20239 197.5
[M+Na-2H]- 284.16321 162.8
[M]+ 263.18799 160.6
[M]- 263.18909 160.6
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.