CID 134812251

Bbtoh

Structural Information

Molecular Formula
C8H6OS
SMILES
C1=CSC(=C1)C#C/C=C/O
InChI
InChI=1S/C8H6OS/c9-6-2-1-4-8-5-3-7-10-8/h2-3,5-7,9H/b6-2+
InChIKey
PFQBOWFIKSJEBT-QHHAFSJGSA-N
Compound name
(E)-4-thiophen-2-ylbut-1-en-3-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.01393 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.02121 137.8
[M+Na]+ 173.00315 149.3
[M-H]- 149.00665 139.9
[M+NH4]+ 168.04775 158.7
[M+K]+ 188.97709 144.5
[M+H-H2O]+ 133.01119 127.1
[M+HCOO]- 195.01213 151.8
[M+CH3COO]- 209.02778 176.8
[M+Na-2H]- 170.98860 139.3
[M]+ 150.01338 133.3
[M]- 150.01448 133.3
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

No patent data available for this compound.