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]+ 153.090996 132.1
[M+Na]+ 175.072938 140.0
[M-H]- 151.076444 135.3
[M+NH4]+ 170.117543 153.3
[M+K]+ 191.046878 139.2
[M+H-H2O]+ 135.080980 127.5
[M+HCOO]- 197.081921 154.6
[M+CH3COO]- 211.097571 173.8
[M+Na-2H]- 173.058386 136.6
[M]+ 152.08317142 133.3
[M]- 152.08426858 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

literature stripe

Patent stripe

patents stripe