CID 145875933

2138138-85-7

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₄

SMILES

COC(=O)C1=C(N=C2N1CC(CC2)C(=O)O)N

InChI

InChI=1S/C10H13N3O4/c1-17-10(16)7-8(11)12-6-3-2-5(9(14)15)4-13(6)7/h5H,2-4,11H2,1H3,(H,14,15)

InChIKey

XHLMHPGXFFDDJE-UHFFFAOYSA-N

Compound name

2-amino-3-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 239.0906 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]+	240.097876	150.9
[M+Na]+	262.079818	158.3
[M-H]-	238.083324	151.2
[M+NH4]+	257.124423	167.5
[M+K]+	278.053758	156.6
[M+H-H2O]+	222.087860	144.2
[M+HCOO]-	284.088801	168.3
[M+CH3COO]-	298.104451	191.2
[M+Na-2H]-	260.065266	152.1
[M]+	239.09005142	149.5
[M]-	239.09114858	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.