CID 3057262

Brn 1071981

Structural Information

Molecular Formula
C7H13NS
SMILES
CC1=NC(CCS1)(C)C
InChI
InChI=1S/C7H13NS/c1-6-8-7(2,3)4-5-9-6/h4-5H2,1-3H3
InChIKey
NKVQLMWONQSSMX-UHFFFAOYSA-N
Compound name
2,4,4-trimethyl-5,6-dihydro-1,3-thiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

143.07687 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.084146 126.6
[M+Na]+ 166.066088 134.8
[M-H]- 142.069594 129.2
[M+NH4]+ 161.110693 149.7
[M+K]+ 182.040028 133.5
[M+H-H2O]+ 126.074130 121.7
[M+HCOO]- 188.075071 142.4
[M+CH3COO]- 202.090721 173.3
[M+Na-2H]- 164.051536 131.2
[M]+ 143.07632142 126.4
[M]- 143.07741858 126.4
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