CID 79400

2-thiopheneethanol

Structural Information

Molecular Formula
C6H8OS
SMILES
C1=CSC(=C1)CCO
InChI
InChI=1S/C6H8OS/c7-4-3-6-2-1-5-8-6/h1-2,5,7H,3-4H2
InChIKey
VMJOFTHFJMLIKL-UHFFFAOYSA-N
Compound name
2-thiophen-2-ylethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1791
Patents

128.02959 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.03687 124.3
[M+Na]+ 151.01881 135.2
[M+NH4]+ 146.06341 134.1
[M+K]+ 166.99275 128.8
[M-H]- 127.02231 126.1
[M+Na-2H]- 149.00426 129.7
[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

literature stripe

Patent stripe

patents stripe