CID 20079669

(5-ethynylfuran-2-yl)methanol

Structural Information

Molecular Formula
C7H6O2
SMILES
C#CC1=CC=C(O1)CO
InChI
InChI=1S/C7H6O2/c1-2-6-3-4-7(5-8)9-6/h1,3-4,8H,5H2
InChIKey
LJVULOZMDNUXBE-UHFFFAOYSA-N
Compound name
(5-ethynylfuran-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

122.03678 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.04406 121.6
[M+Na]+ 145.02600 133.1
[M+NH4]+ 140.07060 126.5
[M+K]+ 160.99994 126.7
[M-H]- 121.02950 115.6
[M+Na-2H]- 143.01145 124.1
[M]+ 122.03623 120.6
[M]- 122.03733 120.6
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

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