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
3
Annotation Hits

0
References

8
Patents

146.07654 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.083816 127.2
[M+Na]+ 169.065758 134.3
[M-H]- 145.069264 131.6
[M+NH4]+ 164.110363 150.1
[M+K]+ 185.039698 134.7
[M+H-H2O]+ 129.073800 123.1
[M+HCOO]- 191.074741 142.3
[M+CH3COO]- 205.090391 172.9
[M+Na-2H]- 167.051206 132.0
[M]+ 146.07599142 127.0
[M]- 146.07708858 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