CID 122163186

Tert-butyl 3-[(chlorosulfonyl)methyl]pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C10H18ClNO4S
SMILES
CC(C)(C)OC(=O)N1CCC(C1)CS(=O)(=O)Cl
InChI
InChI=1S/C10H18ClNO4S/c1-10(2,3)16-9(13)12-5-4-8(6-12)7-17(11,14)15/h8H,4-7H2,1-3H3
InChIKey
UHFFWPGLYAMRBI-UHFFFAOYSA-N
Compound name
tert-butyl 3-(chlorosulfonylmethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

283.0645 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.071776 163.1
[M+Na]+ 306.053718 170.7
[M-H]- 282.057224 165.7
[M+NH4]+ 301.098323 181.1
[M+K]+ 322.027658 168.2
[M+H-H2O]+ 266.061760 159.0
[M+HCOO]- 328.062701 171.6
[M+CH3COO]- 342.078351 191.6
[M+Na-2H]- 304.039166 163.5
[M]+ 283.06395142 168.0
[M]- 283.06504858 168.0
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

patents stripe