CID 112693847

1240606-59-0

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₂

SMILES

CCOC(=O)C1=CN=C(N=C1N)C2CC2

InChI

InChI=1S/C10H13N3O2/c1-2-15-10(14)7-5-12-9(6-3-4-6)13-8(7)11/h5-6H,2-4H2,1H3,(H2,11,12,13)

InChIKey

KKOSXJDFZIODAR-UHFFFAOYSA-N

Compound name

ethyl 4-amino-2-cyclopropylpyrimidine-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 207.10077 Da
Monoisotopic Mass: 1.2
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]+	208.108046	150.4
[M+Na]+	230.089988	160.3
[M-H]-	206.093494	155.1
[M+NH4]+	225.134593	161.7
[M+K]+	246.063928	156.4
[M+H-H2O]+	190.098030	142.2
[M+HCOO]-	252.098971	172.6
[M+CH3COO]-	266.114621	191.1
[M+Na-2H]-	228.075436	154.7
[M]+	207.10022142	153.2
[M]-	207.10131858	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.