CID 111637

1h-indole-2,7-dicarboxylic acid

Structural Information

Molecular Formula

C₁₀H₇NO₄

SMILES

C1=CC2=C(C(=C1)C(=O)O)NC(=C2)C(=O)O

InChI

InChI=1S/C10H7NO4/c12-9(13)6-3-1-2-5-4-7(10(14)15)11-8(5)6/h1-4,11H,(H,12,13)(H,14,15)

InChIKey

GPZDWQUDHYWQBS-UHFFFAOYSA-N

Compound name

1H-indole-2,7-dicarboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 205.0375 Da
Monoisotopic Mass: 1.4
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]+	206.04478	140.9
[M+Na]+	228.02672	151.8
[M+NH4]+	223.07132	147.0
[M+K]+	244.00066	150.3
[M-H]-	204.03022	139.5
[M+Na-2H]-	226.01217	144.4
[M]+	205.03695	141.6
[M]-	205.03805	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe