CID 11062557

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

Structural Information

Molecular Formula
C9H12O2
SMILES
CC1=CC=C(O1)C(CC=C)O
InChI
InChI=1S/C9H12O2/c1-3-4-8(10)9-6-5-7(2)11-9/h3,5-6,8,10H,1,4H2,2H3
InChIKey
WYWAZUBJTKJQMD-UHFFFAOYSA-N
Compound name
1-(5-methylfuran-2-yl)but-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

152.08372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 132.1
[M+Na]+ 175.07294 140.0
[M-H]- 151.07644 135.3
[M+NH4]+ 170.11754 153.3
[M+K]+ 191.04688 139.2
[M+H-H2O]+ 135.08098 127.5
[M+HCOO]- 197.08192 154.6
[M+CH3COO]- 211.09757 173.8
[M+Na-2H]- 173.05839 136.6
[M]+ 152.08317 133.3
[M]- 152.08427 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.