CID 12920058

2,5-dimethyl-2,3-dihydro-1,4-dithiine

Structural Information

Molecular Formula
C6H10S2
SMILES
CC1CSC(=CS1)C
InChI
InChI=1S/C6H10S2/c1-5-3-8-6(2)4-7-5/h3,6H,4H2,1-2H3
InChIKey
ZERRJEOSIUQKQQ-UHFFFAOYSA-N
Compound name
2,5-dimethyl-2,3-dihydro-1,4-dithiine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

146.0224 Da
Monoisotopic Mass

2.1
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

No literature data available for this compound.

Patent stripe

patents stripe