CID 13447131

101417-25-8

Structural Information

Molecular Formula
C6H9NOS
SMILES
CC(=O)C1=CNCCS1
InChI
InChI=1S/C6H9NOS/c1-5(8)6-4-7-2-3-9-6/h4,7H,2-3H2,1H3
InChIKey
PKEPXWNGYHVFFU-UHFFFAOYSA-N
Compound name
1-(3,4-dihydro-2H-1,4-thiazin-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.