CID 75073

2-mercaptoethyl ether

Structural Information

Molecular Formula
C4H10OS2
SMILES
C(CS)OCCS
InChI
InChI=1S/C4H10OS2/c6-3-1-5-2-4-7/h6-7H,1-4H2
InChIKey
CNDCQWGRLNGNNO-UHFFFAOYSA-N
Compound name
2-(2-sulfanylethoxy)ethanethiol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

10274
Patents

138.0173 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.02458 123.6
[M+Na]+ 161.00652 131.5
[M-H]- 137.01002 124.1
[M+NH4]+ 156.05112 146.0
[M+K]+ 176.98046 129.6
[M+H-H2O]+ 121.01456 118.8
[M+HCOO]- 183.01550 136.7
[M+CH3COO]- 197.03115 172.4
[M+Na-2H]- 158.99197 125.3
[M]+ 138.01675 128.1
[M]- 138.01785 128.1
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