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]+ 172.07908 134.5
[M+Na]+ 194.06102 142.1
[M-H]- 170.06452 135.4
[M+NH4]+ 189.10562 155.6
[M+K]+ 210.03496 139.2
[M+H-H2O]+ 154.06906 129.6
[M+HCOO]- 216.07000 148.9
[M+CH3COO]- 230.08565 174.7
[M+Na-2H]- 192.04647 138.2
[M]+ 171.07125 133.5
[M]- 171.07235 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.