CID 643403

3-(3-furyl)acrylic acid

Structural Information

Molecular Formula
C7H6O3
SMILES
C1=COC=C1/C=C/C(=O)O
InChI
InChI=1S/C7H6O3/c8-7(9)2-1-6-3-4-10-5-6/h1-5H,(H,8,9)/b2-1+
InChIKey
JHAPZUDWRRBZHZ-OWOJBTEDSA-N
Compound name
(E)-3-(furan-3-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

289
Patents

138.0317 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.03898 126.5
[M+Na]+ 161.02092 137.0
[M+NH4]+ 156.06552 133.9
[M+K]+ 176.99486 134.5
[M-H]- 137.02442 127.6
[M+Na-2H]- 159.00637 130.8
[M]+ 138.03115 128.0
[M]- 138.03225 128.0
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

patents stripe