CID 137945160

2260936-84-1

Structural Information

Molecular Formula
C9H17ClN2O4S
SMILES
CC(C)(C)OC(=O)N(C)C1CN(C1)S(=O)(=O)Cl
InChI
InChI=1S/C9H17ClN2O4S/c1-9(2,3)16-8(13)11(4)7-5-12(6-7)17(10,14)15/h7H,5-6H2,1-4H3
InChIKey
CWPCBJLKWDSQPC-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-chlorosulfonylazetidin-3-yl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.05975 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.06703 156.3
[M+Na]+ 307.04897 160.9
[M-H]- 283.05247 159.5
[M+NH4]+ 302.09357 165.8
[M+K]+ 323.02291 163.0
[M+H-H2O]+ 267.05701 145.0
[M+HCOO]- 329.05795 165.0
[M+CH3COO]- 343.07360 201.6
[M+Na-2H]- 305.03442 157.8
[M]+ 284.05920 170.6
[M]- 284.06030 170.6
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.