CID 139022770

2344681-50-9

Structural Information

Molecular Formula
C9H20N2O3S
SMILES
CC(CS(=N)(=O)C)NC(=O)OC(C)(C)C
InChI
InChI=1S/C9H20N2O3S/c1-7(6-15(5,10)13)11-8(12)14-9(2,3)4/h7,10H,6H2,1-5H3,(H,11,12)
InChIKey
JDRMZYCAVBQJCU-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(methylsulfonimidoyl)propan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.11946 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.12674 153.8
[M+Na]+ 259.10868 158.7
[M-H]- 235.11218 153.9
[M+NH4]+ 254.15328 171.3
[M+K]+ 275.08262 157.7
[M+H-H2O]+ 219.11672 148.4
[M+HCOO]- 281.11766 169.1
[M+CH3COO]- 295.13331 193.6
[M+Na-2H]- 257.09413 156.2
[M]+ 236.11891 156.0
[M]- 236.12001 156.0
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.