CID 46195362

4-methyl-2-propyl-1,3-oxathiane

Structural Information

Molecular Formula
C8H16OS
SMILES
CCCC1OCCC(S1)C
InChI
InChI=1S/C8H16OS/c1-3-4-8-9-6-5-7(2)10-8/h7-8H,3-6H2,1-2H3
InChIKey
QFFMTTQDIZRKLJ-UHFFFAOYSA-N
Compound name
4-methyl-2-propyl-1,3-oxathiane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

12
Patents

160.0922 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.099476 133.3
[M+Na]+ 183.081418 139.2
[M-H]- 159.084924 137.2
[M+NH4]+ 178.126023 153.6
[M+K]+ 199.055358 138.9
[M+H-H2O]+ 143.089460 128.1
[M+HCOO]- 205.090401 148.1
[M+CH3COO]- 219.106051 176.4
[M+Na-2H]- 181.066866 136.1
[M]+ 160.09165142 133.1
[M]- 160.09274858 133.1
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