CID 118082

Mz-130

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₃

SMILES

CC1CCCC2=NC=C(C(=O)N12)C(=O)OC

InChI

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

InChIKey

NWHUWTFLOIGXEA-UHFFFAOYSA-N

Compound name

methyl 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 222.10045 Da
Monoisotopic Mass: 0.2
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]+	223.107726	146.8
[M+Na]+	245.089668	155.7
[M-H]-	221.093174	148.7
[M+NH4]+	240.134273	163.8
[M+K]+	261.063608	153.5
[M+H-H2O]+	205.097710	139.3
[M+HCOO]-	267.098651	165.0
[M+CH3COO]-	281.114301	189.1
[M+Na-2H]-	243.075116	151.9
[M]+	222.09990142	147.7
[M]-	222.10099858	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe