CID 3051061

1,3-dimethyl-3-alpha,4-beta-piperidinediol hydrochloride

Structural Information

Molecular Formula
C13H18ClNO2
SMILES
C[C@@]1(CN([C@@H](C[C@@H]1O)C2=CC=C(C=C2)Cl)C)O
InChI
InChI=1S/C13H18ClNO2/c1-13(17)8-15(2)11(7-12(13)16)9-3-5-10(14)6-4-9/h3-6,11-12,16-17H,7-8H2,1-2H3/t11-,12-,13-/m0/s1
InChIKey
BVMKMLACEMPHFW-AVGNSLFASA-N
Compound name
(3S,4S,6S)-6-(4-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 169.6
[M+NH4]+ 273.13642 165.7
[M+K]+ 294.06576 160.8
[M-H]- 254.09532 158.9
[M+Na-2H]- 276.07727 163.5
[M]+ 255.10205 159.1
[M]- 255.10315 159.1
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.