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]+ 264.195816 162.2
[M+Na]+ 286.177758 169.7
[M-H]- 262.181264 165.2
[M+NH4]+ 281.222363 180.8
[M+K]+ 302.151698 166.0
[M+H-H2O]+ 246.185800 156.2
[M+HCOO]- 308.186741 177.7
[M+CH3COO]- 322.202391 194.6
[M+Na-2H]- 284.163206 165.1
[M]+ 263.18799142 159.9
[M]- 263.18908858 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.