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

26
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 124.1
[M+Na]+ 151.01881 135.8
[M+NH4]+ 146.06341 133.9
[M+K]+ 166.99275 129.8
[M-H]- 127.02231 126.0
[M+Na-2H]- 149.00426 129.1
[M]+ 128.02904 126.7
[M]- 128.03014 126.7
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