CID 89837

2,3-dihydro-5,6-dimethyl-1,4-dithiin

Structural Information

Molecular Formula
C6H10S2
SMILES
CC1=C(SCCS1)C
InChI
InChI=1S/C6H10S2/c1-5-6(2)8-4-3-7-5/h3-4H2,1-2H3
InChIKey
FAYLFGHUYPPDPQ-UHFFFAOYSA-N
Compound name
5,6-dimethyl-2,3-dihydro-1,4-dithiine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

146.0224 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.02968 124.1
[M+Na]+ 169.01162 131.9
[M-H]- 145.01512 127.8
[M+NH4]+ 164.05622 146.4
[M+K]+ 184.98556 129.0
[M+H-H2O]+ 129.01966 119.3
[M+HCOO]- 191.02060 135.7
[M+CH3COO]- 205.03625 173.2
[M+Na-2H]- 166.99707 125.4
[M]+ 146.02185 123.6
[M]- 146.02295 123.6
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