CID 70680292

Feruloylacetate(1-)

Structural Information

Molecular Formula
C12H12O5
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)O)O
InChI
InChI=1S/C12H12O5/c1-17-11-6-8(3-5-10(11)14)2-4-9(13)7-12(15)16/h2-6,14H,7H2,1H3,(H,15,16)/b4-2+
InChIKey
CXMRDTYDEINMSY-DUXPYHPUSA-N
Compound name
(E)-5-(4-hydroxy-3-methoxyphenyl)-3-oxopent-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3
Patents

236.06847 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.07575 151.2
[M+Na]+ 259.05769 161.3
[M+NH4]+ 254.10229 156.3
[M+K]+ 275.03163 157.6
[M-H]- 235.06119 149.8
[M+Na-2H]- 257.04314 154.2
[M]+ 236.06792 151.8
[M]- 236.06902 151.8
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