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
6
Annotation Hits

0
References

564
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

literature stripe

Patent stripe

patents stripe