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

9943
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.