CID 23366730

2-amino-5-(pyrrolidin-1-yl)benzoic acid

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₂

SMILES

C1CCN(C1)C2=CC(=C(C=C2)N)C(=O)O

InChI

InChI=1S/C11H14N2O2/c12-10-4-3-8(7-9(10)11(14)15)13-5-1-2-6-13/h3-4,7H,1-2,5-6,12H2,(H,14,15)

InChIKey

PXDJWGTVWILAIK-UHFFFAOYSA-N

Compound name

2-amino-5-pyrrolidin-1-ylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 17
Patents: 206.10553 Da
Monoisotopic Mass: 1.6
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]+	207.112806	145.2
[M+Na]+	229.094748	151.4
[M-H]-	205.098254	148.8
[M+NH4]+	224.139353	163.1
[M+K]+	245.068688	148.4
[M+H-H2O]+	189.102790	138.1
[M+HCOO]-	251.103731	165.7
[M+CH3COO]-	265.119381	184.3
[M+Na-2H]-	227.080196	146.7
[M]+	206.10498142	140.4
[M]-	206.10607858	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe