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]+ 146.117556 132.3
[M+Na]+ 168.099498 139.1
[M-H]- 144.103004 130.6
[M+NH4]+ 163.144103 154.4
[M+K]+ 184.073438 137.1
[M+H-H2O]+ 128.107540 128.8
[M+HCOO]- 190.108481 147.8
[M+CH3COO]- 204.124131 165.8
[M+Na-2H]- 166.084946 138.8
[M]+ 145.10973142 126.2
[M]- 145.11082858 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.