CID 135547527

858956-25-9

Structural Information

Molecular Formula

C₈H₈N₂O₃

SMILES

C1CC1C2=NC(=CC(=O)N2)C(=O)O

InChI

InChI=1S/C8H8N2O3/c11-6-3-5(8(12)13)9-7(10-6)4-1-2-4/h3-4H,1-2H2,(H,12,13)(H,9,10,11)

InChIKey

IKDLJHIRCTZDND-UHFFFAOYSA-N

Compound name

2-cyclopropyl-6-oxo-1H-pyrimidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 180.0535 Da
Monoisotopic Mass: -0.5
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]+	181.06078	139.9
[M+Na]+	203.04272	153.1
[M+NH4]+	198.08732	146.6
[M+K]+	219.01666	150.2
[M-H]-	179.04622	146.8
[M+Na-2H]-	201.02817	147.8
[M]+	180.05295	144.5
[M]-	180.05405	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe