CID 34296

2,4-dimethylthiophene

Structural Information

Molecular Formula
C6H8S
SMILES
CC1=CC(=CS1)C
InChI
InChI=1S/C6H8S/c1-5-3-6(2)7-4-5/h3-4H,1-2H3
InChIKey
CPULIKNSOUFMPL-UHFFFAOYSA-N
Compound name
2,4-dimethylthiophene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

3065
Patents

112.03467 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.041946 118.7
[M+Na]+ 135.023888 128.9
[M-H]- 111.027394 123.5
[M+NH4]+ 130.068493 144.5
[M+K]+ 150.997828 127.4
[M+H-H2O]+ 95.031930 114.5
[M+HCOO]- 157.032871 139.7
[M+CH3COO]- 171.048521 167.6
[M+Na-2H]- 133.009336 122.0
[M]+ 112.03412142 121.0
[M]- 112.03521858 121.0
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