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

244
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 120.1
[M+Na]+ 145.01161 127.8
[M-H]- 121.01511 120.8
[M+NH4]+ 140.05621 143.2
[M+K]+ 160.98555 126.1
[M+H-H2O]+ 105.01965 115.5
[M+HCOO]- 167.02059 131.9
[M+CH3COO]- 181.03624 171.3
[M+Na-2H]- 142.99706 120.7
[M]+ 122.02184 122.7
[M]- 122.02294 122.7
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