CID 443850

3dma-4hpp

Structural Information

Molecular Formula
C14H16O4
SMILES
CC(=CCC1=C(C=CC(=C1)CC(=O)C(=O)O)O)C
InChI
InChI=1S/C14H16O4/c1-9(2)3-5-11-7-10(4-6-12(11)15)8-13(16)14(17)18/h3-4,6-7,15H,5,8H2,1-2H3,(H,17,18)
InChIKey
VRMYGSOHQOAIFX-UHFFFAOYSA-N
Compound name
3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-2-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

248.10486 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.11214 157.0
[M+Na]+ 271.09408 166.8
[M+NH4]+ 266.13868 162.2
[M+K]+ 287.06802 162.9
[M-H]- 247.09758 155.8
[M+Na-2H]- 269.07953 159.6
[M]+ 248.10431 157.7
[M]- 248.10541 157.7
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.