CID 138030764

2243510-41-8

Structural Information

Molecular Formula
C9H18N2O3S
SMILES
CC(C)(C)OC(=O)NC1CCS(=N)(=O)C1
InChI
InChI=1S/C9H18N2O3S/c1-9(2,3)14-8(12)11-7-4-5-15(10,13)6-7/h7,10H,4-6H2,1-3H3,(H,11,12)
InChIKey
XZCUGBZJMGQOJE-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-imino-1-oxothiolan-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.10382 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.11110 153.1
[M+Na]+ 257.09304 158.3
[M+NH4]+ 252.13764 160.5
[M+K]+ 273.06698 153.5
[M-H]- 233.09654 152.4
[M+Na-2H]- 255.07849 156.1
[M]+ 234.10327 153.7
[M]- 234.10437 153.7
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.