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
3
Annotation Hits

0
References

8
Patents

160.0922 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.09948 133.3
[M+Na]+ 183.08142 139.2
[M-H]- 159.08492 137.2
[M+NH4]+ 178.12602 153.6
[M+K]+ 199.05536 138.9
[M+H-H2O]+ 143.08946 128.1
[M+HCOO]- 205.09040 148.1
[M+CH3COO]- 219.10605 176.4
[M+Na-2H]- 181.06687 136.1
[M]+ 160.09165 133.1
[M]- 160.09275 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