CID 75457892

1803587-51-0

Structural Information

Molecular Formula
C8H17NOS
SMILES
CCC1(CNCCS1=O)CC
InChI
InChI=1S/C8H17NOS/c1-3-8(4-2)7-9-5-6-11(8)10/h9H,3-7H2,1-2H3
InChIKey
PBFHCDHJDQMZAZ-UHFFFAOYSA-N
Compound name
2,2-diethyl-1,4-thiazinane 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.10309 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.110366 136.8
[M+Na]+ 198.092308 143.2
[M-H]- 174.095814 137.2
[M+NH4]+ 193.136913 157.6
[M+K]+ 214.066248 140.6
[M+H-H2O]+ 158.100350 131.8
[M+HCOO]- 220.101291 149.6
[M+CH3COO]- 234.116941 175.1
[M+Na-2H]- 196.077756 139.4
[M]+ 175.10254142 134.4
[M]- 175.10363858 134.4
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.