CID 24116

Allyl anthranilate

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

C=CCOC(=O)C1=CC=CC=C1N

InChI

InChI=1S/C10H11NO2/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h2-6H,1,7,11H2

InChIKey

UCANFCXAKYMFGA-UHFFFAOYSA-N

Compound name

prop-2-enyl 2-aminobenzoate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 6
References: 583
Patents: 177.07898 Da
Monoisotopic Mass: 2.5
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]+	178.08626	137.2
[M+Na]+	200.06820	144.6
[M-H]-	176.07170	140.5
[M+NH4]+	195.11280	156.9
[M+K]+	216.04214	142.4
[M+H-H2O]+	160.07624	131.2
[M+HCOO]-	222.07718	161.7
[M+CH3COO]-	236.09283	182.1
[M+Na-2H]-	198.05365	142.2
[M]+	177.07843	136.8
[M]-	177.07953	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe