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 150.9
[M+Na]+ 257.09304 157.0
[M-H]- 233.09654 154.2
[M+NH4]+ 252.13764 172.3
[M+K]+ 273.06698 155.4
[M+H-H2O]+ 217.10108 146.6
[M+HCOO]- 279.10202 168.3
[M+CH3COO]- 293.11767 189.2
[M+Na-2H]- 255.07849 153.7
[M]+ 234.10327 150.9
[M]- 234.10437 150.9
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.