CID 525428

2,2-bis(methylsulfanyl)propane

Structural Information

Molecular Formula
C5H12S2
SMILES
CC(C)(SC)SC
InChI
InChI=1S/C5H12S2/c1-5(2,6-3)7-4/h1-4H3
InChIKey
BBYNYNMPOUQKKS-UHFFFAOYSA-N
Compound name
2,2-bis(methylsulfanyl)propane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

283
Patents

136.03804 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.045316 125.6
[M+Na]+ 159.027258 133.5
[M-H]- 135.030764 126.2
[M+NH4]+ 154.071863 148.2
[M+K]+ 175.001198 131.4
[M+H-H2O]+ 119.035300 121.2
[M+HCOO]- 181.036241 136.7
[M+CH3COO]- 195.051891 173.8
[M+Na-2H]- 157.012706 127.3
[M]+ 136.03749142 128.6
[M]- 136.03858858 128.6
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