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]+ 144.08415 126.6
[M+Na]+ 166.06609 134.8
[M-H]- 142.06959 129.2
[M+NH4]+ 161.11069 149.7
[M+K]+ 182.04003 133.5
[M+H-H2O]+ 126.07413 121.7
[M+HCOO]- 188.07507 142.4
[M+CH3COO]- 202.09072 173.3
[M+Na-2H]- 164.05154 131.2
[M]+ 143.07632 126.4
[M]- 143.07742 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