CID 3050448

66439-89-2

Structural Information

Molecular Formula
C14H19NO2
SMILES
CC1=CC=C(C=C1)[C@@H]2CC(=O)[C@](CN2C)(C)O
InChI
InChI=1S/C14H19NO2/c1-10-4-6-11(7-5-10)12-8-13(16)14(2,17)9-15(12)3/h4-7,12,17H,8-9H2,1-3H3/t12-,14+/m0/s1
InChIKey
JERSXTRCROMCSH-GXTWGEPZSA-N
Compound name
(2S,5R)-5-hydroxy-1,5-dimethyl-2-(4-methylphenyl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.14159 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 152.8
[M+Na]+ 256.13081 160.9
[M-H]- 232.13431 157.2
[M+NH4]+ 251.17541 171.2
[M+K]+ 272.10475 157.5
[M+H-H2O]+ 216.13885 146.2
[M+HCOO]- 278.13979 170.7
[M+CH3COO]- 292.15544 190.6
[M+Na-2H]- 254.11626 155.9
[M]+ 233.14104 150.4
[M]- 233.14214 150.4
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.