CID 22329

2-methyl-1,3-dithiane

Structural Information

Molecular Formula
C5H10S2
SMILES
CC1SCCCS1
InChI
InChI=1S/C5H10S2/c1-5-6-3-2-4-7-5/h5H,2-4H2,1H3
InChIKey
KXROTPXCYDXGSC-UHFFFAOYSA-N
Compound name
2-methyl-1,3-dithiane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1526
Patents

134.0224 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.02968 122.4
[M+Na]+ 157.01162 128.8
[M-H]- 133.01512 125.5
[M+NH4]+ 152.05622 144.8
[M+K]+ 172.98556 126.4
[M+H-H2O]+ 117.01966 117.6
[M+HCOO]- 179.02060 132.9
[M+CH3COO]- 193.03625 169.6
[M+Na-2H]- 154.99707 123.9
[M]+ 134.02185 119.8
[M]- 134.02295 119.8
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

No patent data available for this compound.