CID 2402161

3-methylnaphtho[1,2-b]furan-2-carboxylic acid

Structural Information

Molecular Formula
C14H10O3
SMILES
CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C14H10O3/c1-8-10-7-6-9-4-2-3-5-11(9)13(10)17-12(8)14(15)16/h2-7H,1H3,(H,15,16)
InChIKey
SEJNPUWLTFUDAI-UHFFFAOYSA-N
Compound name
3-methylbenzo[g][1]benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

2
Patents

226.06299 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.07027 145.6
[M+Na]+ 249.05221 156.9
[M-H]- 225.05571 151.8
[M+NH4]+ 244.09681 166.3
[M+K]+ 265.02615 154.0
[M+H-H2O]+ 209.06025 140.5
[M+HCOO]- 271.06119 167.8
[M+CH3COO]- 285.07684 160.1
[M+Na-2H]- 247.03766 152.8
[M]+ 226.06244 150.0
[M]- 226.06354 150.0
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