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

0
Patents

143.07687 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.08415 128.3
[M+Na]+ 166.06609 134.9
[M-H]- 142.06959 130.2
[M+NH4]+ 161.11069 149.1
[M+K]+ 182.04003 133.1
[M+H-H2O]+ 126.07413 122.3
[M+HCOO]- 188.07507 144.2
[M+CH3COO]- 202.09072 172.7
[M+Na-2H]- 164.05154 132.1
[M]+ 143.07632 127.4
[M]- 143.07742 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