CID 9877418

1-(5-methylfuran-2-yl)but-3-yn-1-ol

Structural Information

Molecular Formula
C9H10O2
SMILES
CC1=CC=C(O1)C(CC#C)O
InChI
InChI=1S/C9H10O2/c1-3-4-8(10)9-6-5-7(2)11-9/h1,5-6,8,10H,4H2,2H3
InChIKey
NOWHXSQOXFHUPB-UHFFFAOYSA-N
Compound name
1-(5-methylfuran-2-yl)but-3-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

150.06808 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.075356 131.0
[M+Na]+ 173.057298 141.4
[M-H]- 149.060804 132.6
[M+NH4]+ 168.101903 149.8
[M+K]+ 189.031238 139.0
[M+H-H2O]+ 133.065340 119.9
[M+HCOO]- 195.066281 147.8
[M+CH3COO]- 209.081931 182.0
[M+Na-2H]- 171.042746 134.8
[M]+ 150.06753142 126.8
[M]- 150.06862858 126.8
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