CID 3051057

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

Structural Information

Molecular Formula
C14H21NO3
SMILES
C[C@@]1(CN([C@@H](C[C@@H]1O)C2=CC=C(C=C2)OC)C)O
InChI
InChI=1S/C14H21NO3/c1-14(17)9-15(2)12(8-13(14)16)10-4-6-11(18-3)7-5-10/h4-7,12-13,16-17H,8-9H2,1-3H3/t12-,13-,14-/m0/s1
InChIKey
IOPGKWSTIFJTGG-IHRRRGAJSA-N
Compound name
(3S,4S,6S)-6-(4-methoxyphenyl)-1,3-dimethylpiperidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.15215 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15943 158.2
[M+Na]+ 274.14137 165.5
[M-H]- 250.14487 161.1
[M+NH4]+ 269.18597 175.2
[M+K]+ 290.11531 162.4
[M+H-H2O]+ 234.14941 151.7
[M+HCOO]- 296.15035 174.6
[M+CH3COO]- 310.16600 191.1
[M+Na-2H]- 272.12682 160.9
[M]+ 251.15160 156.2
[M]- 251.15270 156.2
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.