CID 21521582

2-acetamidopyrimidine-5-carboxylic acid

Structural Information

Molecular Formula

C₇H₇N₃O₃

SMILES

CC(=O)NC1=NC=C(C=N1)C(=O)O

InChI

InChI=1S/C7H7N3O3/c1-4(11)10-7-8-2-5(3-9-7)6(12)13/h2-3H,1H3,(H,12,13)(H,8,9,10,11)

InChIKey

XMYMLRFZYLBRCU-UHFFFAOYSA-N

Compound name

2-acetamidopyrimidine-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 181.04874 Da
Monoisotopic Mass: -0.8
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]+	182.05602	136.2
[M+Na]+	204.03796	146.6
[M+NH4]+	199.08256	141.6
[M+K]+	220.01190	143.5
[M-H]-	180.04146	135.2
[M+Na-2H]-	202.02341	141.0
[M]+	181.04819	136.9
[M]-	181.04929	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe