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]+ 256.109876 155.9
[M+Na]+ 278.091818 164.4
[M-H]- 254.095324 158.8
[M+NH4]+ 273.136423 173.6
[M+K]+ 294.065758 159.2
[M+H-H2O]+ 238.099860 150.4
[M+HCOO]- 300.100801 167.9
[M+CH3COO]- 314.116451 189.7
[M+Na-2H]- 276.077266 158.6
[M]+ 255.10205142 154.0
[M]- 255.10314858 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.