CID 11126659

67310-57-0

Structural Information

Molecular Formula
C8H8O4
SMILES
C1=C(OC(=C1)/C=C/C(=O)O)CO
InChI
InChI=1S/C8H8O4/c9-5-7-2-1-6(12-7)3-4-8(10)11/h1-4,9H,5H2,(H,10,11)/b4-3+
InChIKey
FAWJSEHMOMAQHG-ONEGZZNKSA-N
Compound name
(E)-3-[5-(hydroxymethyl)furan-2-yl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

168.04225 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04953 132.9
[M+Na]+ 191.03147 140.9
[M-H]- 167.03497 134.8
[M+NH4]+ 186.07607 152.5
[M+K]+ 207.00541 139.8
[M+H-H2O]+ 151.03951 128.2
[M+HCOO]- 213.04045 154.8
[M+CH3COO]- 227.05610 170.9
[M+Na-2H]- 189.01692 137.5
[M]+ 168.04170 133.9
[M]- 168.04280 133.9
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