CID 96665

63917-24-8

Structural Information

Molecular Formula
C8H13NOS
SMILES
CCC1(C(=O)NC=CS1)CC
InChI
InChI=1S/C8H13NOS/c1-3-8(4-2)7(10)9-5-6-11-8/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKey
QLTOWVSLACYBHJ-UHFFFAOYSA-N
Compound name
2,2-diethyl-4H-1,4-thiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

171.0718 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.079076 134.5
[M+Na]+ 194.061018 142.1
[M-H]- 170.064524 135.4
[M+NH4]+ 189.105623 155.6
[M+K]+ 210.034958 139.2
[M+H-H2O]+ 154.069060 129.6
[M+HCOO]- 216.070001 148.9
[M+CH3COO]- 230.085651 174.7
[M+Na-2H]- 192.046466 138.2
[M]+ 171.07125142 133.5
[M]- 171.07234858 133.5
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.