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
2
Annotation Hits

0
References

1177
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 133.0
[M+NH4]+ 152.05622 133.6
[M+K]+ 172.98556 122.9
[M-H]- 133.01512 125.9
[M+Na-2H]- 154.99707 127.5
[M]+ 134.02185 125.9
[M]- 134.02295 125.9
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