CID 65334243

1493751-21-5

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₃

SMILES

CC1=NC(=NC=C1C(=O)O)C2CCOCC2

InChI

InChI=1S/C11H14N2O3/c1-7-9(11(14)15)6-12-10(13-7)8-2-4-16-5-3-8/h6,8H,2-5H2,1H3,(H,14,15)

InChIKey

ZZQHHXLPKNJWJV-UHFFFAOYSA-N

Compound name

4-methyl-2-(oxan-4-yl)pyrimidine-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 222.10045 Da
Monoisotopic Mass: 0.6
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]+	223.107726	149.2
[M+Na]+	245.089668	155.5
[M-H]-	221.093174	152.1
[M+NH4]+	240.134273	162.4
[M+K]+	261.063608	154.1
[M+H-H2O]+	205.097710	140.8
[M+HCOO]-	267.098651	165.0
[M+CH3COO]-	281.114301	185.5
[M+Na-2H]-	243.075116	153.5
[M]+	222.09990142	146.5
[M]-	222.10099858	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.