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]+ 176.11037 136.8
[M+Na]+ 198.09231 143.2
[M-H]- 174.09581 137.2
[M+NH4]+ 193.13691 157.6
[M+K]+ 214.06625 140.6
[M+H-H2O]+ 158.10035 131.8
[M+HCOO]- 220.10129 149.6
[M+CH3COO]- 234.11694 175.1
[M+Na-2H]- 196.07776 139.4
[M]+ 175.10254 134.4
[M]- 175.10364 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.