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

literature stripe

Patent stripe

patents stripe