CID 9877418

57544-94-2

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

47
Patents

150.06808 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07536 131.0
[M+Na]+ 173.05730 141.4
[M-H]- 149.06080 132.6
[M+NH4]+ 168.10190 149.8
[M+K]+ 189.03124 139.0
[M+H-H2O]+ 133.06534 119.9
[M+HCOO]- 195.06628 147.8
[M+CH3COO]- 209.08193 182.0
[M+Na-2H]- 171.04275 134.8
[M]+ 150.06753 126.8
[M]- 150.06863 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