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]+ 270.05614 158.4
[M+Na]+ 292.03808 166.4
[M-H]- 268.04158 161.1
[M+NH4]+ 287.08268 176.9
[M+K]+ 308.01202 164.1
[M+H-H2O]+ 252.04612 154.4
[M+HCOO]- 314.04706 167.1
[M+CH3COO]- 328.06271 189.3
[M+Na-2H]- 290.02353 159.3
[M]+ 269.04831 163.0
[M]- 269.04941 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.