CID 3051063

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

Structural Information

Molecular Formula
C13H18FNO2
SMILES
C[C@@]1(CN([C@@H](C[C@@H]1O)C2=CC=CC=C2F)C)O
InChI
InChI=1S/C13H18FNO2/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
IMLFRGPTOQGGMY-AVGNSLFASA-N
Compound name
(3S,4S,6S)-6-(2-fluorophenyl)-1,3-dimethylpiperidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.13216 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.13944 153.8
[M+Na]+ 262.12138 161.7
[M-H]- 238.12488 155.5
[M+NH4]+ 257.16598 171.3
[M+K]+ 278.09532 157.8
[M+H-H2O]+ 222.12942 146.6
[M+HCOO]- 284.13036 169.3
[M+CH3COO]- 298.14601 188.6
[M+Na-2H]- 260.10683 156.3
[M]+ 239.13161 148.8
[M]- 239.13271 148.8
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.