CID 16228604

Ethyl 1-(chlorosulfonyl)pyrrolidine-2-carboxylate

Structural Information

Molecular Formula
C7H12ClNO4S
SMILES
CCOC(=O)C1CCCN1S(=O)(=O)Cl
InChI
InChI=1S/C7H12ClNO4S/c1-2-13-7(10)6-4-3-5-9(6)14(8,11)12/h6H,2-5H2,1H3
InChIKey
WCUNTJWGGDSJPD-UHFFFAOYSA-N
Compound name
ethyl 1-chlorosulfonylpyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

241.01756 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.02484 149.3
[M+Na]+ 264.00678 157.8
[M-H]- 240.01028 151.9
[M+NH4]+ 259.05138 168.7
[M+K]+ 279.98072 155.4
[M+H-H2O]+ 224.01482 144.9
[M+HCOO]- 286.01576 160.2
[M+CH3COO]- 300.03141 183.6
[M+Na-2H]- 261.99223 149.9
[M]+ 241.01701 153.7
[M]- 241.01811 153.7
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

patents stripe