CID 137965603

2230803-89-9

Structural Information

Molecular Formula
C10H20N2O3S
SMILES
CC(C)(C)OC(=O)NC1CCS(=N)(=O)CC1
InChI
InChI=1S/C10H20N2O3S/c1-10(2,3)15-9(13)12-8-4-6-16(11,14)7-5-8/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKey
PTNMOQLQSHZUNJ-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-imino-1-oxothian-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.11946 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12674 155.5
[M+Na]+ 271.10868 161.6
[M+NH4]+ 266.15328 163.0
[M+K]+ 287.08262 154.7
[M-H]- 247.11218 155.5
[M+Na-2H]- 269.09413 159.4
[M]+ 248.11891 156.5
[M]- 248.12001 156.5
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.