CID 2792419

1008675-45-3

Structural Information

Molecular Formula

C₁₃H₁₃N₃O₂

SMILES

C1CC(N(C1)C2=NC=NC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C13H13N3O2/c17-13(18)11-6-3-7-16(11)12-9-4-1-2-5-10(9)14-8-15-12/h1-2,4-5,8,11H,3,6-7H2,(H,17,18)

InChIKey

GFUFVXIKRWWWKO-UHFFFAOYSA-N

Compound name

1-quinazolin-4-ylpyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 0
Patents: 243.10077 Da
Monoisotopic Mass: 2.2
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]+	244.108046	154.1
[M+Na]+	266.089988	161.7
[M-H]-	242.093494	156.3
[M+NH4]+	261.134593	169.2
[M+K]+	282.063928	157.5
[M+H-H2O]+	226.098030	145.1
[M+HCOO]-	288.098971	170.6
[M+CH3COO]-	302.114621	165.0
[M+Na-2H]-	264.075436	157.9
[M]+	243.10022142	151.5
[M]-	243.10131858	151.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.