CID 215498

35793-56-7

Structural Information

Molecular Formula
C8H13NS
SMILES
CC1(CCSC(=N1)C=C)C
InChI
InChI=1S/C8H13NS/c1-4-7-9-8(2,3)5-6-10-7/h4H,1,5-6H2,2-3H3
InChIKey
LMUGJUYSZGFJAH-UHFFFAOYSA-N
Compound name
2-ethenyl-4,4-dimethyl-5,6-dihydro-1,3-thiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.07687 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.084146 130.0
[M+Na]+ 178.066088 138.1
[M-H]- 154.069594 132.4
[M+NH4]+ 173.110693 152.5
[M+K]+ 194.040028 135.8
[M+H-H2O]+ 138.074130 124.9
[M+HCOO]- 200.075071 145.7
[M+CH3COO]- 214.090721 175.4
[M+Na-2H]- 176.051536 134.0
[M]+ 155.07632142 129.4
[M]- 155.07741858 129.4
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.