CID 122163793

Tert-butyl (2s)-1-(chlorosulfonyl)pyrrolidine-2-carboxylate

Structural Information

Molecular Formula
C9H16ClNO4S
SMILES
CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)Cl
InChI
InChI=1S/C9H16ClNO4S/c1-9(2,3)15-8(12)7-5-4-6-11(7)16(10,13)14/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKey
MSXBIUKPGHGNLQ-ZETCQYMHSA-N
Compound name
tert-butyl (2S)-1-chlorosulfonylpyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.04886 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.056136 158.4
[M+Na]+ 292.038078 166.4
[M-H]- 268.041584 161.1
[M+NH4]+ 287.082683 176.9
[M+K]+ 308.012018 164.1
[M+H-H2O]+ 252.046120 154.4
[M+HCOO]- 314.047061 167.1
[M+CH3COO]- 328.062711 189.3
[M+Na-2H]- 290.023526 159.3
[M]+ 269.04831142 163.0
[M]- 269.04940858 163.0
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.