CID 138039618

2241129-31-5

Structural Information

Molecular Formula
C8H18N2O3S
SMILES
CC(C)(C)OC(=O)NCCS(=N)(=O)C
InChI
InChI=1S/C8H18N2O3S/c1-8(2,3)13-7(11)10-5-6-14(4,9)12/h9H,5-6H2,1-4H3,(H,10,11)
InChIKey
GBBXHNSJKIYNEC-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(methylsulfonimidoyl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

222.10382 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.111096 149.8
[M+Na]+ 245.093038 155.5
[M-H]- 221.096544 150.0
[M+NH4]+ 240.137643 168.0
[M+K]+ 261.066978 154.1
[M+H-H2O]+ 205.101080 144.4
[M+HCOO]- 267.102021 166.5
[M+CH3COO]- 281.117671 189.7
[M+Na-2H]- 243.078486 153.7
[M]+ 222.10327142 152.3
[M]- 222.10436858 152.3
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

patents stripe