CID 154577024

2418722-73-1

Structural Information

Molecular Formula
C11H20ClNO5S
SMILES
CC1(CN(C1)C(=O)OC(C)(C)C)OCCS(=O)(=O)Cl
InChI
InChI=1S/C11H20ClNO5S/c1-10(2,3)18-9(14)13-7-11(4,8-13)17-5-6-19(12,15)16/h5-8H2,1-4H3
InChIKey
SRTCFRYASXTTRQ-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-chlorosulfonylethoxy)-3-methylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.07507 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.08235 161.4
[M+Na]+ 336.06429 166.5
[M-H]- 312.06779 163.2
[M+NH4]+ 331.10889 171.4
[M+K]+ 352.03823 167.7
[M+H-H2O]+ 296.07233 152.3
[M+HCOO]- 358.07327 168.5
[M+CH3COO]- 372.08892 200.9
[M+Na-2H]- 334.04974 164.4
[M]+ 313.07452 177.8
[M]- 313.07562 177.8
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.