CID 15864441

62995-09-9

Structural Information

Molecular Formula
C7H15NO3S
SMILES
CC(C)(C)OC(=O)N=S(=O)(C)C
InChI
InChI=1S/C7H15NO3S/c1-7(2,3)11-6(9)8-12(4,5)10/h1-5H3
InChIKey
ZTINABKGODDUGY-UHFFFAOYSA-N
Compound name
tert-butyl N-[dimethyl(oxo)-lambda6-sulfanylidene]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

193.07727 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08455 140.8
[M+Na]+ 216.06649 148.5
[M-H]- 192.06999 143.0
[M+NH4]+ 211.11109 161.5
[M+K]+ 232.04043 148.5
[M+H-H2O]+ 176.07453 136.1
[M+HCOO]- 238.07547 158.5
[M+CH3COO]- 252.09112 183.6
[M+Na-2H]- 214.05194 145.2
[M]+ 193.07672 145.8
[M]- 193.07782 145.8
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.