CID 77117

Bis(2-mercaptoethyl) sulfide

Structural Information

Molecular Formula
C4H10S3
SMILES
C(CSCCS)S
InChI
InChI=1S/C4H10S3/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChIKey
KSJBMDCFYZKAFH-UHFFFAOYSA-N
Compound name
2-(2-sulfanylethylsulfanyl)ethanethiol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1891
References

8541
Patents

153.99446 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.00174 125.2
[M+Na]+ 176.98368 132.8
[M-H]- 152.98718 125.0
[M+NH4]+ 172.02828 146.4
[M+K]+ 192.95762 128.4
[M+H-H2O]+ 136.99172 120.0
[M+HCOO]- 198.99266 131.7
[M+CH3COO]- 213.00831 176.7
[M+Na-2H]- 174.96913 125.0
[M]+ 153.99391 127.3
[M]- 153.99501 127.3
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