CID 9793866

Methyl 2-aminopyrimidine-5-carboxylate

Structural Information

Molecular Formula

C₆H₇N₃O₂

SMILES

COC(=O)C1=CN=C(N=C1)N

InChI

InChI=1S/C6H7N3O2/c1-11-5(10)4-2-8-6(7)9-3-4/h2-3H,1H3,(H2,7,8,9)

InChIKey

JVHBXKOTWYZYDF-UHFFFAOYSA-N

Compound name

methyl 2-aminopyrimidine-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 278
Patents: 153.05383 Da
Monoisotopic Mass: -0.3
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]+	154.06111	129.2
[M+Na]+	176.04305	140.8
[M+NH4]+	171.08765	136.0
[M+K]+	192.01699	136.6
[M-H]-	152.04655	129.6
[M+Na-2H]-	174.02850	135.4
[M]+	153.05328	130.6
[M]-	153.05438	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe