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]+ 270.056136 152.1
[M+Na]+ 292.038078 160.5
[M-H]- 268.041584 156.6
[M+NH4]+ 287.082683 166.7
[M+K]+ 308.012018 157.5
[M+H-H2O]+ 252.046120 149.0
[M+HCOO]- 314.047061 163.7
[M+CH3COO]- 328.062711 194.3
[M+Na-2H]- 290.023526 157.6
[M]+ 269.04831142 160.8
[M]- 269.04940858 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.