CID 206596

4h-1,3-thiazine, 5,6-dihydro-2-propyl-

Structural Information

Molecular Formula
C7H13NS
SMILES
CCCC1=NCCCS1
InChI
InChI=1S/C7H13NS/c1-2-4-7-8-5-3-6-9-7/h2-6H2,1H3
InChIKey
HMEGFPYZTQOLFY-UHFFFAOYSA-N
Compound name
2-propyl-5,6-dihydro-4H-1,3-thiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

143.07687 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.084146 128.3
[M+Na]+ 166.066088 134.9
[M-H]- 142.069594 130.2
[M+NH4]+ 161.110693 149.1
[M+K]+ 182.040028 133.1
[M+H-H2O]+ 126.074130 122.3
[M+HCOO]- 188.075071 144.2
[M+CH3COO]- 202.090721 172.7
[M+Na-2H]- 164.051536 132.1
[M]+ 143.07632142 127.4
[M]- 143.07741858 127.4
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

patents stripe