CID 141161

1,3-bis(methylthio)propane

Structural Information

Molecular Formula
C5H12S2
SMILES
CSCCCSC
InChI
InChI=1S/C5H12S2/c1-6-4-3-5-7-2/h3-5H2,1-2H3
InChIKey
JIZDZCFZPMIBPK-UHFFFAOYSA-N
Compound name
1,3-bis(methylsulfanyl)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

178
Patents

136.03804 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.04532 126.7
[M+Na]+ 159.02726 136.9
[M+NH4]+ 154.07186 136.7
[M+K]+ 175.00120 126.7
[M-H]- 135.03076 127.9
[M+Na-2H]- 157.01271 129.8
[M]+ 136.03749 129.5
[M]- 136.03859 129.5
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