CID 105442992

2253640-72-9

Structural Information

Molecular Formula

C₁₀H₈N₂O₂

SMILES

CC1=CC2=C(C=C1)N=CN=C2C(=O)O

InChI

InChI=1S/C10H8N2O2/c1-6-2-3-8-7(4-6)9(10(13)14)12-5-11-8/h2-5H,1H3,(H,13,14)

InChIKey

SHWGIJACTBDDEF-UHFFFAOYSA-N

Compound name

6-methylquinazoline-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 188.05858 Da
Monoisotopic Mass: 1.8
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]+	189.06586	138.2
[M+Na]+	211.04780	152.5
[M+NH4]+	206.09240	146.0
[M+K]+	227.02174	146.6
[M-H]-	187.05130	139.2
[M+Na-2H]-	209.03325	144.9
[M]+	188.05803	140.4
[M]-	188.05913	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe