CID 146050211

Rac-(3r,4s)-3,4-dimethylpiperidine-3,4-diol hydrochloride

Structural Information

Molecular Formula
C7H15NO2
SMILES
C[C@]1(CCNC[C@]1(C)O)O
InChI
InChI=1S/C7H15NO2/c1-6(9)3-4-8-5-7(6,2)10/h8-10H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKey
HGXYINYVAXMHLR-RQJHMYQMSA-N
Compound name
(3S,4R)-3,4-dimethylpiperidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.11028 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.11756 132.3
[M+Na]+ 168.09950 139.1
[M-H]- 144.10300 130.6
[M+NH4]+ 163.14410 154.4
[M+K]+ 184.07344 137.1
[M+H-H2O]+ 128.10754 128.8
[M+HCOO]- 190.10848 147.8
[M+CH3COO]- 204.12413 165.8
[M+Na-2H]- 166.08495 138.8
[M]+ 145.10973 126.2
[M]- 145.11083 126.2
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.