CID 3059294

76302-29-9

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₂

SMILES

CC(C1=CC=C(C=C1)NC2=CC=CC=N2)C(=O)O

InChI

InChI=1S/C14H14N2O2/c1-10(14(17)18)11-5-7-12(8-6-11)16-13-4-2-3-9-15-13/h2-10H,1H3,(H,15,16)(H,17,18)

InChIKey

AHBKHOGVLKUYAT-UHFFFAOYSA-N

Compound name

2-[4-(pyridin-2-ylamino)phenyl]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 242.10553 Da
Monoisotopic Mass: 2.8
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]+	243.11281	154.2
[M+Na]+	265.09475	160.0
[M-H]-	241.09825	158.1
[M+NH4]+	260.13935	168.7
[M+K]+	281.06869	156.5
[M+H-H2O]+	225.10279	145.9
[M+HCOO]-	287.10373	175.4
[M+CH3COO]-	301.11938	193.2
[M+Na-2H]-	263.08020	159.2
[M]+	242.10498	152.5
[M]-	242.10608	152.5

Literature stripe

literature stripe

Patent stripe

patents stripe