CID 137949479

2166949-71-7

Structural Information

Molecular Formula
C9H16ClNO4S
SMILES
CC(C)(C)OC(=O)NC1(CC1)CS(=O)(=O)Cl
InChI
InChI=1S/C9H16ClNO4S/c1-8(2,3)15-7(12)11-9(4-5-9)6-16(10,13)14/h4-6H2,1-3H3,(H,11,12)
InChIKey
WVSDJUPYRMJVMV-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(chlorosulfonylmethyl)cyclopropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.04886 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.05614 152.1
[M+Na]+ 292.03808 160.5
[M-H]- 268.04158 156.6
[M+NH4]+ 287.08268 166.7
[M+K]+ 308.01202 157.5
[M+H-H2O]+ 252.04612 149.0
[M+HCOO]- 314.04706 163.7
[M+CH3COO]- 328.06271 194.3
[M+Na-2H]- 290.02353 157.6
[M]+ 269.04831 160.8
[M]- 269.04941 160.8
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.