CID 643402

3-(2-furyl)acrylic acid

Structural Information

Molecular Formula
C7H6O3
SMILES
C1=COC(=C1)/C=C/C(=O)O
InChI
InChI=1S/C7H6O3/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H,8,9)/b4-3+
InChIKey
ZCJLOOJRNPHKAV-ONEGZZNKSA-N
Compound name
(E)-3-(furan-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

1633
Patents

138.0317 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.03898 125.3
[M+Na]+ 161.02092 133.4
[M-H]- 137.02442 128.4
[M+NH4]+ 156.06552 146.6
[M+K]+ 176.99486 132.9
[M+H-H2O]+ 121.02896 120.6
[M+HCOO]- 183.02990 148.9
[M+CH3COO]- 197.04555 167.1
[M+Na-2H]- 159.00637 131.5
[M]+ 138.03115 126.0
[M]- 138.03225 126.0
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