CID 137942469

2287237-31-2

Structural Information

Molecular Formula
C7H12ClNO4S
SMILES
CC(=O)OC[C@@H]1CCCN1S(=O)(=O)Cl
InChI
InChI=1S/C7H12ClNO4S/c1-6(10)13-5-7-3-2-4-9(7)14(8,11)12/h7H,2-5H2,1H3/t7-/m0/s1
InChIKey
UNABFWXNFMXZMD-ZETCQYMHSA-N
Compound name
[(2S)-1-chlorosulfonylpyrrolidin-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.01756 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.02484 150.7
[M+Na]+ 264.00678 158.9
[M+NH4]+ 259.05138 156.9
[M+K]+ 279.98072 155.3
[M-H]- 240.01028 148.5
[M+Na-2H]- 261.99223 152.0
[M]+ 241.01701 151.6
[M]- 241.01811 151.6
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.