CID 123494

2-(methyldisulfanyl)propane

Structural Information

Molecular Formula
C4H10S2
SMILES
CC(C)SSC
InChI
InChI=1S/C4H10S2/c1-4(2)6-5-3/h4H,1-3H3
InChIKey
MRCFHOIQEFOJEC-UHFFFAOYSA-N
Compound name
2-(methyldisulfanyl)propane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

163
Patents

122.02239 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.02967 123.1
[M+Na]+ 145.01161 133.2
[M+NH4]+ 140.05621 133.1
[M+K]+ 160.98555 123.9
[M-H]- 121.01511 124.2
[M+Na-2H]- 142.99706 126.1
[M]+ 122.02184 125.8
[M]- 122.02294 125.8
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