CID 138040300

2243501-45-1

Structural Information

Molecular Formula
C8H12ClNO6S
SMILES
CC(=O)O[C@@H]1C[C@H](N(C1)S(=O)(=O)Cl)C(=O)OC
InChI
InChI=1S/C8H12ClNO6S/c1-5(11)16-6-3-7(8(12)15-2)10(4-6)17(9,13)14/h6-7H,3-4H2,1-2H3/t6-,7+/m1/s1
InChIKey
PGVKVGWNDOQYAC-RQJHMYQMSA-N
Compound name
methyl (2S,4R)-4-acetyloxy-1-chlorosulfonylpyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.0074 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.01468 156.0
[M+Na]+ 307.99662 164.4
[M-H]- 284.00012 158.9
[M+NH4]+ 303.04122 173.6
[M+K]+ 323.97056 162.9
[M+H-H2O]+ 268.00466 152.0
[M+HCOO]- 330.00560 166.2
[M+CH3COO]- 344.02125 191.4
[M+Na-2H]- 305.98207 155.3
[M]+ 285.00685 162.7
[M]- 285.00795 162.7
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.