CID 83816426

933739-23-2

Structural Information

Molecular Formula

C₆H₅ClN₂O₂

SMILES

CC1=CC(=NC(=N1)C(=O)O)Cl

InChI

InChI=1S/C6H5ClN2O2/c1-3-2-4(7)9-5(8-3)6(10)11/h2H,1H3,(H,10,11)

InChIKey

YTZZKCSUEQIWAU-UHFFFAOYSA-N

Compound name

4-chloro-6-methylpyrimidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 172.00395 Da
Monoisotopic Mass: 1.4
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]+	173.01123	130.4
[M+Na]+	194.99317	144.2
[M+NH4]+	190.03777	137.8
[M+K]+	210.96711	139.0
[M-H]-	170.99667	130.3
[M+Na-2H]-	192.97862	136.7
[M]+	172.00340	132.4
[M]-	172.00450	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.