CID 25246289

Bdhmf

Structural Information

Molecular Formula
C9H12O3
SMILES
CCC/C=C/1\C(=O)C(=C(O1)C)O
InChI
InChI=1S/C9H12O3/c1-3-4-5-7-9(11)8(10)6(2)12-7/h5,10H,3-4H2,1-2H3/b7-5+
InChIKey
JJPKPKGALPXILL-FNORWQNLSA-N
Compound name
(2E)-2-butylidene-4-hydroxy-5-methylfuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

168.07864 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.085916 133.6
[M+Na]+ 191.067858 143.0
[M-H]- 167.071364 137.2
[M+NH4]+ 186.112463 154.7
[M+K]+ 207.041798 141.7
[M+H-H2O]+ 151.075900 129.5
[M+HCOO]- 213.076841 156.1
[M+CH3COO]- 227.092491 176.2
[M+Na-2H]- 189.053306 137.3
[M]+ 168.07809142 135.6
[M]- 168.07918858 135.6
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.