CID 21828

2-methyl-1,3-dithiolane

Structural Information

Molecular Formula
C4H8S2
SMILES
CC1SCCS1
InChI
InChI=1S/C4H8S2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3
InChIKey
CARJCVDELAMAEJ-UHFFFAOYSA-N
Compound name
2-methyl-1,3-dithiolane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

440
Patents

120.006744 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.01402 121.1
[M+Na]+ 142.99596 130.9
[M+NH4]+ 138.04057 132.1
[M+K]+ 158.96990 122.7
[M-H]- 118.99947 123.9
[M+Na-2H]- 140.98141 125.1
[M]+ 120.00620 124.2
[M]- 120.00729 124.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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