CID 18539813

2,4,4-trimethyl-1,3-oxathiane

Structural Information

Molecular Formula
C7H14OS
SMILES
CC1OCCC(S1)(C)C
InChI
InChI=1S/C7H14OS/c1-6-8-5-4-7(2,3)9-6/h6H,4-5H2,1-3H3
InChIKey
RRVYBZOPLAEEFE-UHFFFAOYSA-N
Compound name
2,4,4-trimethyl-1,3-oxathiane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

146.07654 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.08382 127.2
[M+Na]+ 169.06576 134.3
[M-H]- 145.06926 131.6
[M+NH4]+ 164.11036 150.1
[M+K]+ 185.03970 134.7
[M+H-H2O]+ 129.07380 123.1
[M+HCOO]- 191.07474 142.3
[M+CH3COO]- 205.09039 172.9
[M+Na-2H]- 167.05121 132.0
[M]+ 146.07599 127.0
[M]- 146.07709 127.0
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