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

132
Patents

120.006744 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.014020 120.7
[M+Na]+ 142.995962 129.0
[M-H]- 118.999468 124.5
[M+NH4]+ 138.040567 145.7
[M+K]+ 158.969902 127.3
[M+H-H2O]+ 103.004004 116.4
[M+HCOO]- 165.004945 133.7
[M+CH3COO]- 179.020595 166.6
[M+Na-2H]- 140.981410 121.0
[M]+ 120.00619542 120.1
[M]- 120.00729258 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