CID 13978435

110811-32-0

Structural Information

Molecular Formula

C₁₁H₉NO₄

SMILES

COC(=O)C1=C2C(=CC=C1)NC=C2C(=O)O

InChI

InChI=1S/C11H9NO4/c1-16-11(15)6-3-2-4-8-9(6)7(5-12-8)10(13)14/h2-5,12H,1H3,(H,13,14)

InChIKey

SFSQGVCYTSTWKX-UHFFFAOYSA-N

Compound name

4-methoxycarbonyl-1H-indole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 219.05316 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]+	220.06044	145.1
[M+Na]+	242.04238	156.4
[M+NH4]+	237.08698	151.4
[M+K]+	258.01632	154.2
[M-H]-	218.04588	144.1
[M+Na-2H]-	240.02783	148.9
[M]+	219.05261	146.0
[M]-	219.05371	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe