CID 2983214

838584-50-2

Structural Information

Molecular Formula

C₁₅H₁₁NO₄

SMILES

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(O3)C(=O)O)C=O

InChI

InChI=1S/C15H11NO4/c17-9-10-7-16(13-4-2-1-3-12(10)13)8-11-5-6-14(20-11)15(18)19/h1-7,9H,8H2,(H,18,19)

InChIKey

DAYGBDYALIOMSM-UHFFFAOYSA-N

Compound name

5-[(3-formylindol-1-yl)methyl]furan-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 269.06882 Da
Monoisotopic Mass: 2.0
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]+	270.076096	157.3
[M+Na]+	292.058038	167.9
[M-H]-	268.061544	164.6
[M+NH4]+	287.102643	175.1
[M+K]+	308.031978	165.1
[M+H-H2O]+	252.066080	151.2
[M+HCOO]-	314.067021	180.6
[M+CH3COO]-	328.082671	193.7
[M+Na-2H]-	290.043486	160.6
[M]+	269.06827142	162.8
[M]-	269.06936858	162.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe