CID 3051059

3,4-piperidinediol, 6-(2-chlorophenyl)-1,3-dimethyl-, hydrochloride, (3-alpha,4-beta,6-beta)-

Structural Information

Molecular Formula
C13H18ClNO2
SMILES
C[C@@]1(CN([C@@H](C[C@@H]1O)C2=CC=CC=C2Cl)C)O
InChI
InChI=1S/C13H18ClNO2/c1-13(17)8-15(2)11(7-12(13)16)9-5-3-4-6-10(9)14/h3-6,11-12,16-17H,7-8H2,1-2H3/t11-,12-,13-/m0/s1
InChIKey
FGILBIAQXWCXFC-AVGNSLFASA-N
Compound name
(3S,4S,6S)-6-(2-chlorophenyl)-1,3-dimethylpiperidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.1026 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10988 155.9
[M+Na]+ 278.09182 164.4
[M-H]- 254.09532 158.8
[M+NH4]+ 273.13642 173.6
[M+K]+ 294.06576 159.2
[M+H-H2O]+ 238.09986 150.4
[M+HCOO]- 300.10080 167.9
[M+CH3COO]- 314.11645 189.7
[M+Na-2H]- 276.07727 158.6
[M]+ 255.10205 154.0
[M]- 255.10315 154.0
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.