CID 2815870

524-80-1

Structural Information

Molecular Formula

C₁₄H₁₁NO₂

SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N2CC(=O)O

InChI

InChI=1S/C14H11NO2/c16-14(17)9-15-12-7-3-1-5-10(12)11-6-2-4-8-13(11)15/h1-8H,9H2,(H,16,17)

InChIKey

PBDMLLFEZXXJNE-UHFFFAOYSA-N

Compound name

2-carbazol-9-ylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 246
Patents: 225.07898 Da
Monoisotopic Mass: 3.0
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]+	226.086256	147.4
[M+Na]+	248.068198	157.8
[M-H]-	224.071704	151.1
[M+NH4]+	243.112803	167.7
[M+K]+	264.042138	153.0
[M+H-H2O]+	208.076240	141.0
[M+HCOO]-	270.077181	169.1
[M+CH3COO]-	284.092831	160.8
[M+Na-2H]-	246.053646	154.5
[M]+	225.07843142	149.9
[M]-	225.07952858	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe