CID 71774067

Schembl14381777

Structural Information

Molecular Formula
C6H8OS
SMILES
CC1=CC(=C(S1)O)C
InChI
InChI=1S/C6H8OS/c1-4-3-5(2)8-6(4)7/h3,7H,1-2H3
InChIKey
UBNZYEZYPBQFFU-UHFFFAOYSA-N
Compound name
3,5-dimethylthiophen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

128.02959 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.036866 122.3
[M+Na]+ 151.018808 132.7
[M-H]- 127.022314 125.9
[M+NH4]+ 146.063413 146.9
[M+K]+ 166.992748 130.6
[M+H-H2O]+ 111.026850 118.3
[M+HCOO]- 173.027791 142.0
[M+CH3COO]- 187.043441 167.9
[M+Na-2H]- 149.004256 124.5
[M]+ 128.02904142 124.5
[M]- 128.03013858 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