CID 457449

N-(6-quinolyl)glycine

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₂

SMILES

C1=CC2=C(C=CC(=C2)NCC(=O)O)N=C1

InChI

InChI=1S/C11H10N2O2/c14-11(15)7-13-9-3-4-10-8(6-9)2-1-5-12-10/h1-6,13H,7H2,(H,14,15)

InChIKey

PVRJWJORYKSQAN-UHFFFAOYSA-N

Compound name

2-(quinolin-6-ylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 36
Patents: 202.07423 Da
Monoisotopic Mass: 1.7
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]+	203.08151	140.9
[M+Na]+	225.06345	148.4
[M-H]-	201.06695	142.8
[M+NH4]+	220.10805	158.6
[M+K]+	241.03739	145.1
[M+H-H2O]+	185.07149	133.9
[M+HCOO]-	247.07243	162.6
[M+CH3COO]-	261.08808	185.0
[M+Na-2H]-	223.04890	149.5
[M]+	202.07368	140.2
[M]-	202.07478	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe