CID 29038140

1030423-73-4

Structural Information

Molecular Formula

C₁₂H₁₃NO₂

SMILES

CC(C)N1C=CC2=C1C=C(C=C2)C(=O)O

InChI

InChI=1S/C12H13NO2/c1-8(2)13-6-5-9-3-4-10(12(14)15)7-11(9)13/h3-8H,1-2H3,(H,14,15)

InChIKey

WUGHVWTWRRQKDA-UHFFFAOYSA-N

Compound name

1-propan-2-ylindole-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 203.09464 Da
Monoisotopic Mass: 2.2
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]+	204.10192	143.3
[M+Na]+	226.08386	155.9
[M+NH4]+	221.12846	151.3
[M+K]+	242.05780	152.3
[M-H]-	202.08736	144.2
[M+Na-2H]-	224.06931	148.6
[M]+	203.09409	145.2
[M]-	203.09519	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe