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

2
Patents

222.10045 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10773 146.8
[M+Na]+ 245.08967 155.7
[M-H]- 221.09317 148.7
[M+NH4]+ 240.13427 163.8
[M+K]+ 261.06361 153.5
[M+H-H2O]+ 205.09771 139.3
[M+HCOO]- 267.09865 165.0
[M+CH3COO]- 281.11430 189.1
[M+Na-2H]- 243.07512 151.9
[M]+ 222.09990 147.7
[M]- 222.10100 147.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe