CID 66244130

1803584-85-1

Structural Information

Molecular Formula
C7H15NOS
SMILES
CCC1CNCC(S1=O)C
InChI
InChI=1S/C7H15NOS/c1-3-7-5-8-4-6(2)10(7)9/h6-8H,3-5H2,1-2H3
InChIKey
HRXGNKLLVIMNOT-UHFFFAOYSA-N
Compound name
2-ethyl-6-methyl-1,4-thiazinane 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.08743 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.094706 133.1
[M+Na]+ 184.076648 140.1
[M-H]- 160.080154 133.8
[M+NH4]+ 179.121253 152.8
[M+K]+ 200.050588 137.3
[M+H-H2O]+ 144.084690 127.7
[M+HCOO]- 206.085631 146.2
[M+CH3COO]- 220.101281 173.7
[M+Na-2H]- 182.062096 134.1
[M]+ 161.08688142 130.3
[M]- 161.08797858 130.3
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.