CID 25219418

1,7-dimethyl-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula

C₁₁H₁₁NO₂

SMILES

CC1=C2C(=CC=C1)C=C(N2C)C(=O)O

InChI

InChI=1S/C11H11NO2/c1-7-4-3-5-8-6-9(11(13)14)12(2)10(7)8/h3-6H,1-2H3,(H,13,14)

InChIKey

IORFLRMMPCRQJM-UHFFFAOYSA-N

Compound name

1,7-dimethylindole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 189.07898 Da
Monoisotopic Mass: 2.4
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]+	190.08626	138.6
[M+Na]+	212.06820	152.2
[M+NH4]+	207.11280	146.9
[M+K]+	228.04214	148.1
[M-H]-	188.07170	139.8
[M+Na-2H]-	210.05365	144.3
[M]+	189.07843	140.8
[M]-	189.07953	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe