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
3
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]+ 144.047756 127.5
[M+Na]+ 166.029698 133.9
[M-H]- 142.033204 128.1
[M+NH4]+ 161.074303 147.2
[M+K]+ 182.003638 131.6
[M+H-H2O]+ 126.037740 121.8
[M+HCOO]- 188.038681 141.5
[M+CH3COO]- 202.054331 168.8
[M+Na-2H]- 164.015146 130.2
[M]+ 143.03993142 124.4
[M]- 143.04102858 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.