CID 526853

1-(3,4-dihydro-2h-1,4-thiazin-5-yl)ethanone

Structural Information

Molecular Formula
C6H9NOS
SMILES
CC(=O)C1=CSCCN1
InChI
InChI=1S/C6H9NOS/c1-5(8)6-4-9-3-2-7-6/h4,7H,2-3H2,1H3
InChIKey
YJSKAAVPUSXIPL-UHFFFAOYSA-N
Compound name
1-(3,4-dihydro-2H-1,4-thiazin-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

45
Patents

143.04048 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.04776 127.5
[M+Na]+ 166.02970 133.9
[M-H]- 142.03320 128.1
[M+NH4]+ 161.07430 147.2
[M+K]+ 182.00364 131.6
[M+H-H2O]+ 126.03774 121.8
[M+HCOO]- 188.03868 141.5
[M+CH3COO]- 202.05433 168.8
[M+Na-2H]- 164.01515 130.2
[M]+ 143.03993 124.4
[M]- 143.04103 124.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe