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]+ 264.195816 162.5
[M+Na]+ 286.177758 170.9
[M-H]- 262.181264 165.9
[M+NH4]+ 281.222363 179.7
[M+K]+ 302.151698 167.0
[M+H-H2O]+ 246.185800 156.4
[M+HCOO]- 308.186741 178.0
[M+CH3COO]- 322.202391 197.5
[M+Na-2H]- 284.163206 162.8
[M]+ 263.18799142 160.6
[M]- 263.18908858 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.