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]+ 156.08415 130.0
[M+Na]+ 178.06609 138.1
[M-H]- 154.06959 132.4
[M+NH4]+ 173.11069 152.5
[M+K]+ 194.04003 135.8
[M+H-H2O]+ 138.07413 124.9
[M+HCOO]- 200.07507 145.7
[M+CH3COO]- 214.09072 175.4
[M+Na-2H]- 176.05154 134.0
[M]+ 155.07632 129.4
[M]- 155.07742 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.