CID 131751103

(2e,11z)-wyerone acid

Structural Information

Molecular Formula
C14H12O4
SMILES
CC/C=C\C#CC(=O)C1=CC=C(O1)/C=C\C(=O)O
InChI
InChI=1S/C14H12O4/c1-2-3-4-5-6-12(15)13-9-7-11(18-13)8-10-14(16)17/h3-4,7-10H,2H2,1H3,(H,16,17)/b4-3-,10-8-
InChIKey
ZLZFXXJOALTVDA-YHOGECKDSA-N
Compound name
(Z)-3-[5-[(Z)-hept-4-en-2-ynoyl]furan-2-yl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

244.07356 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08084 158.3
[M+Na]+ 267.06278 167.6
[M-H]- 243.06628 159.4
[M+NH4]+ 262.10738 173.4
[M+K]+ 283.03672 163.3
[M+H-H2O]+ 227.07082 146.3
[M+HCOO]- 289.07176 173.7
[M+CH3COO]- 303.08741 194.6
[M+Na-2H]- 265.04823 158.2
[M]+ 244.07301 154.8
[M]- 244.07411 154.8
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

No patent data available for this compound.