CID 43286739

6-ethyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-one

Structural Information

Molecular Formula
C9H13NOS
SMILES
CCC1CCC2=C(C1)SC(=O)N2
InChI
InChI=1S/C9H13NOS/c1-2-6-3-4-7-8(5-6)12-9(11)10-7/h6H,2-5H2,1H3,(H,10,11)
InChIKey
BJXBACZSPFNJLB-UHFFFAOYSA-N
Compound name
6-ethyl-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.0718 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.079076 137.3
[M+Na]+ 206.061018 146.3
[M-H]- 182.064524 139.4
[M+NH4]+ 201.105623 159.2
[M+K]+ 222.034958 142.5
[M+H-H2O]+ 166.069060 132.3
[M+HCOO]- 228.070001 152.2
[M+CH3COO]- 242.085651 150.3
[M+Na-2H]- 204.046466 139.2
[M]+ 183.07125142 136.7
[M]- 183.07234858 136.7
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.