CID 145909295

Rac-(3r,4s)-2,2-dimethylpyrrolidine-3,4-diol hydrochloride

Structural Information

Molecular Formula
C6H13NO2
SMILES
CC1([C@@H]([C@@H](CN1)O)O)C
InChI
InChI=1S/C6H13NO2/c1-6(2)5(9)4(8)3-7-6/h4-5,7-9H,3H2,1-2H3/t4-,5-/m1/s1
InChIKey
MTJQIGPIPJXXTF-RFZPGFLSSA-N
Compound name
(3S,4R)-2,2-dimethylpyrrolidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

131.09464 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 127.4
[M+Na]+ 154.08386 135.4
[M-H]- 130.08736 126.0
[M+NH4]+ 149.12846 150.2
[M+K]+ 170.05780 133.3
[M+H-H2O]+ 114.09190 123.7
[M+HCOO]- 176.09284 145.4
[M+CH3COO]- 190.10849 163.8
[M+Na-2H]- 152.06931 131.3
[M]+ 131.09409 122.9
[M]- 131.09519 122.9
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.