CID 18539814

1,3-oxathiane, 2-ethyl-4,4-dimethyl-

Structural Information

Molecular Formula
C8H16OS
SMILES
CCC1OCCC(S1)(C)C
InChI
InChI=1S/C8H16OS/c1-4-7-9-6-5-8(2,3)10-7/h7H,4-6H2,1-3H3
InChIKey
MGCPAMUGCONVKI-UHFFFAOYSA-N
Compound name
2-ethyl-4,4-dimethyl-1,3-oxathiane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

337
Patents

160.0922 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.09948 131.7
[M+Na]+ 183.08142 138.3
[M-H]- 159.08492 135.9
[M+NH4]+ 178.12602 154.0
[M+K]+ 199.05536 138.5
[M+H-H2O]+ 143.08946 127.4
[M+HCOO]- 205.09040 146.4
[M+CH3COO]- 219.10605 175.9
[M+Na-2H]- 181.06687 135.9
[M]+ 160.09165 131.9
[M]- 160.09275 131.9
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