CID 66305

Ethyl methyl sulfite

Structural Information

Molecular Formula
C3H8O3S
SMILES
CCOS(=O)OC
InChI
InChI=1S/C3H8O3S/c1-3-6-7(4)5-2/h3H2,1-2H3
InChIKey
FMQCKJHUYDYTMA-UHFFFAOYSA-N
Compound name
ethyl methyl sulfite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

551
Patents

124.01942 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.026696 120.3
[M+Na]+ 147.008638 128.5
[M-H]- 123.012144 121.3
[M+NH4]+ 142.053243 143.1
[M+K]+ 162.982578 129.2
[M+H-H2O]+ 107.016680 115.7
[M+HCOO]- 169.017621 139.4
[M+CH3COO]- 183.033271 168.0
[M+Na-2H]- 144.994086 124.1
[M]+ 124.01887142 125.5
[M]- 124.01996858 125.5
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