CID 3075810

128887-79-6

Structural Information

Molecular Formula
C16H25NO2
SMILES
CCC1(CC(N(CC1(C)O)C)C2=CC=CC=C2C)O
InChI
InChI=1S/C16H25NO2/c1-5-16(19)10-14(17(4)11-15(16,3)18)13-9-7-6-8-12(13)2/h6-9,14,18-19H,5,10-11H2,1-4H3
InChIKey
MGEALIGZMGRKRD-UHFFFAOYSA-N
Compound name
4-ethyl-1,3-dimethyl-6-(2-methylphenyl)piperidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.18854 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.19582 162.2
[M+Na]+ 286.17776 169.7
[M-H]- 262.18126 165.2
[M+NH4]+ 281.22236 180.8
[M+K]+ 302.15170 166.0
[M+H-H2O]+ 246.18580 156.2
[M+HCOO]- 308.18674 177.7
[M+CH3COO]- 322.20239 194.6
[M+Na-2H]- 284.16321 165.1
[M]+ 263.18799 159.9
[M]- 263.18909 159.9
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.