CID 42238

2-methyl-2-propyl-1,3-dithiolane

Structural Information

Molecular Formula
C7H14S2
SMILES
CCCC1(SCCS1)C
InChI
InChI=1S/C7H14S2/c1-3-4-7(2)8-5-6-9-7/h3-6H2,1-2H3
InChIKey
JQUCKLQXVFVCTH-UHFFFAOYSA-N
Compound name
2-methyl-2-propyl-1,3-dithiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

162.0537 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.06098 132.1
[M+Na]+ 185.04292 139.7
[M-H]- 161.04642 135.4
[M+NH4]+ 180.08752 157.3
[M+K]+ 201.01686 137.4
[M+H-H2O]+ 145.05096 128.2
[M+HCOO]- 207.05190 144.1
[M+CH3COO]- 221.06755 175.0
[M+Na-2H]- 183.02837 132.7
[M]+ 162.05315 132.9
[M]- 162.05425 132.9
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