CID 137945289

765961-86-2

Structural Information

Molecular Formula
C9H19ClN2O4S
SMILES
CC(C)(C)OC(=O)N(C)CCN(C)S(=O)(=O)Cl
InChI
InChI=1S/C9H19ClN2O4S/c1-9(2,3)16-8(13)11(4)6-7-12(5)17(10,14)15/h6-7H2,1-5H3
InChIKey
LVLYEMVCGBCDCB-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[chlorosulfonyl(methyl)amino]ethyl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0754 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.08268 160.8
[M+Na]+ 309.06462 166.9
[M-H]- 285.06812 164.2
[M+NH4]+ 304.10922 178.7
[M+K]+ 325.03856 166.8
[M+H-H2O]+ 269.07266 156.1
[M+HCOO]- 331.07360 174.2
[M+CH3COO]- 345.08925 205.2
[M+Na-2H]- 307.05007 163.3
[M]+ 286.07485 169.7
[M]- 286.07595 169.7
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.