CID 22931856

232944-38-6

Structural Information

Molecular Formula
C5H12O3S2
SMILES
CSCCCOS(=O)(=O)C
InChI
InChI=1S/C5H12O3S2/c1-9-5-3-4-8-10(2,6)7/h3-5H2,1-2H3
InChIKey
JJRYDZAYWWFTQA-UHFFFAOYSA-N
Compound name
3-methylsulfanylpropyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

184.02278 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.03006 136.3
[M+Na]+ 207.01200 144.2
[M-H]- 183.01550 136.6
[M+NH4]+ 202.05660 156.7
[M+K]+ 222.98594 141.8
[M+H-H2O]+ 167.02004 131.4
[M+HCOO]- 229.02098 148.6
[M+CH3COO]- 243.03663 177.6
[M+Na-2H]- 204.99745 138.5
[M]+ 184.02223 142.1
[M]- 184.02333 142.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe