CID 3061404

79128-38-4

Structural Information

Molecular Formula
C7H15NS
SMILES
CC(C)C1NCCCS1
InChI
InChI=1S/C7H15NS/c1-6(2)7-8-4-3-5-9-7/h6-8H,3-5H2,1-2H3
InChIKey
OUTAKNAOINYIAR-UHFFFAOYSA-N
Compound name
2-propan-2-yl-1,3-thiazinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.09251 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.099786 131.2
[M+Na]+ 168.081728 135.9
[M-H]- 144.085234 131.3
[M+NH4]+ 163.126333 151.0
[M+K]+ 184.055668 133.9
[M+H-H2O]+ 128.089770 125.5
[M+HCOO]- 190.090711 143.0
[M+CH3COO]- 204.106361 171.1
[M+Na-2H]- 166.067176 132.4
[M]+ 145.09196142 126.4
[M]- 145.09305858 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

No patent data available for this compound.