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]+ 169.049526 132.9
[M+Na]+ 191.031468 140.9
[M-H]- 167.034974 134.8
[M+NH4]+ 186.076073 152.5
[M+K]+ 207.005408 139.8
[M+H-H2O]+ 151.039510 128.2
[M+HCOO]- 213.040451 154.8
[M+CH3COO]- 227.056101 170.9
[M+Na-2H]- 189.016916 137.5
[M]+ 168.04170142 133.9
[M]- 168.04279858 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