CID 84038716

Methyl 1,3-thiazinane-4-carboxylate hydrochloride

Structural Information

Molecular Formula
C6H11NO2S
SMILES
COC(=O)C1CCSCN1
InChI
InChI=1S/C6H11NO2S/c1-9-6(8)5-2-3-10-4-7-5/h5,7H,2-4H2,1H3
InChIKey
WCZOOJDUXWEXSQ-UHFFFAOYSA-N
Compound name
methyl 1,3-thiazinane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.05106 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05834 132.9
[M+Na]+ 184.04028 138.2
[M-H]- 160.04378 133.1
[M+NH4]+ 179.08488 151.8
[M+K]+ 200.01422 136.7
[M+H-H2O]+ 144.04832 127.0
[M+HCOO]- 206.04926 145.7
[M+CH3COO]- 220.06491 170.5
[M+Na-2H]- 182.02573 134.7
[M]+ 161.05051 129.8
[M]- 161.05161 129.8
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.