CID 10876

539-47-9

Structural Information

Molecular Formula

C₇H₆O₃

SMILES

C1=COC(=C1)C=CC(=O)O

InChI

InChI=1S/C7H6O3/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H,8,9)

InChIKey

ZCJLOOJRNPHKAV-UHFFFAOYSA-N

Compound name

3-(furan-2-yl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 12
References: 2474
Patents: 138.0317 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	139.038976	125.3
[M+Na]+	161.020918	133.4
[M-H]-	137.024424	128.4
[M+NH4]+	156.065523	146.6
[M+K]+	176.994858	132.9
[M+H-H2O]+	121.028960	120.6
[M+HCOO]-	183.029901	148.9
[M+CH3COO]-	197.045551	167.1
[M+Na-2H]-	159.006366	131.5
[M]+	138.03115142	126.0
[M]-	138.03224858	126.0

Literature stripe

literature stripe

Patent stripe

patents stripe