CID 143048

Oxirane, (ethylthiomethyl)-

Structural Information

Molecular Formula
C5H10OS
SMILES
CCSCC1CO1
InChI
InChI=1S/C5H10OS/c1-2-7-4-5-3-6-5/h5H,2-4H2,1H3
InChIKey
KDSVXIGJVLFKOE-UHFFFAOYSA-N
Compound name
2-(ethylsulfanylmethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
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 119.0
[M+Na]+ 141.03445 128.6
[M-H]- 117.03796 124.8
[M+NH4]+ 136.07906 136.2
[M+K]+ 157.00839 128.4
[M+H-H2O]+ 101.04250 113.0
[M+HCOO]- 163.04344 137.7
[M+CH3COO]- 177.05909 172.3
[M+Na-2H]- 139.01990 124.9
[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

literature stripe

Patent stripe

patents stripe