CID 771465

138423-98-0

Structural Information

Molecular Formula

C₁₁H₉NO₃

SMILES

C1=CC=C2C(=C1)C(=CN2CC(=O)O)C=O

InChI

InChI=1S/C11H9NO3/c13-7-8-5-12(6-11(14)15)10-4-2-1-3-9(8)10/h1-5,7H,6H2,(H,14,15)

InChIKey

ZUUGBTJTGRTIFK-UHFFFAOYSA-N

Compound name

2-(3-formylindol-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 157
Patents: 203.05824 Da
Monoisotopic Mass: 1.2
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]+	204.06552	141.5
[M+Na]+	226.04746	154.2
[M+NH4]+	221.09206	148.8
[M+K]+	242.02140	150.3
[M-H]-	202.05096	141.7
[M+Na-2H]-	224.03291	146.7
[M]+	203.05769	143.1
[M]-	203.05879	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe