CID 39655

4-methyl-1,3-dithiolane

Structural Information

Molecular Formula
C4H8S2
SMILES
CC1CSCS1
InChI
InChI=1S/C4H8S2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3
InChIKey
RCAGLIUGQCZIDE-UHFFFAOYSA-N
Compound name
4-methyl-1,3-dithiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
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 120.7
[M+Na]+ 142.99596 129.0
[M-H]- 118.99947 124.5
[M+NH4]+ 138.04057 145.7
[M+K]+ 158.96990 127.3
[M+H-H2O]+ 103.00400 116.4
[M+HCOO]- 165.00494 133.7
[M+CH3COO]- 179.02060 166.6
[M+Na-2H]- 140.98141 121.0
[M]+ 120.00620 120.1
[M]- 120.00729 120.1
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