CID 12363633

111252-37-0

Structural Information

Molecular Formula
C9H8O5
SMILES
COC(=O)C1=CC=C(O1)/C=C/C(=O)O
InChI
InChI=1S/C9H8O5/c1-13-9(12)7-4-2-6(14-7)3-5-8(10)11/h2-5H,1H3,(H,10,11)/b5-3+
InChIKey
BZKWUIBIOLDKDG-HWKANZROSA-N
Compound name
(E)-3-(5-methoxycarbonylfuran-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.03717 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.04445 138.6
[M+Na]+ 219.02639 146.7
[M-H]- 195.02989 141.9
[M+NH4]+ 214.07099 157.6
[M+K]+ 235.00033 146.6
[M+H-H2O]+ 179.03443 133.6
[M+HCOO]- 241.03537 161.2
[M+CH3COO]- 255.05102 178.0
[M+Na-2H]- 217.01184 142.1
[M]+ 196.03662 142.0
[M]- 196.03772 142.0
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.