CID 101010

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

Structural Information

Molecular Formula
C8H16OS
SMILES
CCCC1CCOC(S1)C
InChI
InChI=1S/C8H16OS/c1-3-4-8-5-6-9-7(2)10-8/h7-8H,3-6H2,1-2H3
InChIKey
GKGOLPMYJJXRGD-UHFFFAOYSA-N
Compound name
2-methyl-4-propyl-1,3-oxathiane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

3
References

1136
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

literature stripe

Patent stripe

patents stripe