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

8
Patents

222.10382 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11110 149.8
[M+Na]+ 245.09304 155.5
[M-H]- 221.09654 150.0
[M+NH4]+ 240.13764 168.0
[M+K]+ 261.06698 154.1
[M+H-H2O]+ 205.10108 144.4
[M+HCOO]- 267.10202 166.5
[M+CH3COO]- 281.11767 189.7
[M+Na-2H]- 243.07849 153.7
[M]+ 222.10327 152.3
[M]- 222.10437 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