CID 718838

55040-11-4

Structural Information

Molecular Formula

C₁₀H₉N₃O₂

SMILES

C1=CC=C2C(=C1)C(=NC=N2)NCC(=O)O

InChI

InChI=1S/C10H9N3O2/c14-9(15)5-11-10-7-3-1-2-4-8(7)12-6-13-10/h1-4,6H,5H2,(H,14,15)(H,11,12,13)

InChIKey

GQLYDNMTAYXPLC-UHFFFAOYSA-N

Compound name

2-(quinazolin-4-ylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 203.06947 Da
Monoisotopic Mass: 2.0
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]+	204.07675	141.9
[M+Na]+	226.05869	154.5
[M+NH4]+	221.10329	149.1
[M+K]+	242.03263	148.8
[M-H]-	202.06219	143.0
[M+Na-2H]-	224.04414	148.5
[M]+	203.06892	143.7
[M]-	203.07002	143.7

Literature stripe

literature stripe

Patent stripe

patents stripe