CID 13144702

26421-50-1

Structural Information

Molecular Formula
C8H12OS
SMILES
CC1=CC(=C(S1)C)CCO
InChI
InChI=1S/C8H12OS/c1-6-5-8(3-4-9)7(2)10-6/h5,9H,3-4H2,1-2H3
InChIKey
UOSGVMNPXNASFC-UHFFFAOYSA-N
Compound name
2-(2,5-dimethylthiophen-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

156.06088 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.06816 131.4
[M+Na]+ 179.05010 141.0
[M-H]- 155.05360 134.6
[M+NH4]+ 174.09470 154.8
[M+K]+ 195.02404 138.3
[M+H-H2O]+ 139.05814 127.0
[M+HCOO]- 201.05908 150.4
[M+CH3COO]- 215.07473 173.9
[M+Na-2H]- 177.03555 132.6
[M]+ 156.06033 134.3
[M]- 156.06143 134.3
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