CID 165587089

En300-33039526

Structural Information

Molecular Formula
C6H12ClNO4S
SMILES
CO[C@@H]1CN(C[C@H]1OC)S(=O)(=O)Cl
InChI
InChI=1S/C6H12ClNO4S/c1-11-5-3-8(13(7,9)10)4-6(5)12-2/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKey
PYRONDRDMQNIIM-PHDIDXHHSA-N
Compound name
(3R,4R)-3,4-dimethoxypyrrolidine-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.01756 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.02484 145.1
[M+Na]+ 252.00678 154.8
[M-H]- 228.01028 148.1
[M+NH4]+ 247.05138 165.4
[M+K]+ 267.98072 152.8
[M+H-H2O]+ 212.01482 141.0
[M+HCOO]- 274.01576 157.0
[M+CH3COO]- 288.03141 182.6
[M+Na-2H]- 249.99223 146.6
[M]+ 229.01701 150.8
[M]- 229.01811 150.8
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.