CID 86364

Thiophene-3-ol, 2,4-dimethyl-

Structural Information

Molecular Formula
C6H8OS
SMILES
CC1=CSC(=C1O)C
InChI
InChI=1S/C6H8OS/c1-4-3-8-5(2)6(4)7/h3,7H,1-2H3
InChIKey
HQAKWHSNHXGQPA-UHFFFAOYSA-N
Compound name
2,4-dimethylthiophen-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

30
Patents

128.02959 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.03687 122.3
[M+Na]+ 151.01881 132.7
[M-H]- 127.02231 125.9
[M+NH4]+ 146.06341 146.9
[M+K]+ 166.99275 130.6
[M+H-H2O]+ 111.02685 118.3
[M+HCOO]- 173.02779 142.0
[M+CH3COO]- 187.04344 167.9
[M+Na-2H]- 149.00426 124.5
[M]+ 128.02904 124.5
[M]- 128.03014 124.5
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