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

12
Patents

146.0224 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.029676 124.1
[M+Na]+ 169.011618 131.9
[M-H]- 145.015124 127.8
[M+NH4]+ 164.056223 146.4
[M+K]+ 184.985558 129.0
[M+H-H2O]+ 129.019660 119.3
[M+HCOO]- 191.020601 135.7
[M+CH3COO]- 205.036251 173.2
[M+Na-2H]- 166.997066 125.4
[M]+ 146.02185142 123.6
[M]- 146.02294858 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