CID 474248

2-(ethoxymethyl)thiirane

Structural Information

Molecular Formula
C5H10OS
SMILES
CCOCC1CS1
InChI
InChI=1S/C5H10OS/c1-2-6-3-5-4-7-5/h5H,2-4H2,1H3
InChIKey
YTWUGGHKVYGZIS-UHFFFAOYSA-N
Compound name
2-(ethoxymethyl)thiirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

118.045235 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.05251 119.5
[M+Na]+ 141.03445 128.9
[M-H]- 117.03796 124.5
[M+NH4]+ 136.07906 137.8
[M+K]+ 157.00839 127.6
[M+H-H2O]+ 101.04250 113.7
[M+HCOO]- 163.04344 139.0
[M+CH3COO]- 177.05909 172.5
[M+Na-2H]- 139.01990 124.3
[M]+ 118.04469 124.9
[M]- 118.04578 124.9
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

No patent data available for this compound.