CID 22333

2-ethyl-2-methyl-1,3-dithiolane

Structural Information

Molecular Formula
C6H12S2
SMILES
CCC1(SCCS1)C
InChI
InChI=1S/C6H12S2/c1-3-6(2)7-4-5-8-6/h3-5H2,1-2H3
InChIKey
HTKIVHYYNMKZDN-UHFFFAOYSA-N
Compound name
2-ethyl-2-methyl-1,3-dithiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

148.03804 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.045316 127.9
[M+Na]+ 171.027258 136.0
[M-H]- 147.030764 131.4
[M+NH4]+ 166.071863 153.6
[M+K]+ 187.001198 133.9
[M+H-H2O]+ 131.035300 124.2
[M+HCOO]- 193.036241 140.2
[M+CH3COO]- 207.051891 172.0
[M+Na-2H]- 169.012706 128.9
[M]+ 148.03749142 128.4
[M]- 148.03858858 128.4
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