CID 135779061

Ethyl 5h,6h,7h,8h-imidazo[1,2-a]pyrimidine-2-carboxylate

Structural Information

Molecular Formula
C9H13N3O2
SMILES
CCOC(=O)C1=CN2CCCNC2=N1
InChI
InChI=1S/C9H13N3O2/c1-2-14-8(13)7-6-12-5-3-4-10-9(12)11-7/h6H,2-5H2,1H3,(H,10,11)
InChIKey
QLUHDKGNAMXJOV-UHFFFAOYSA-N
Compound name
ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

195.10077 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.108046 143.3
[M+Na]+ 218.089988 150.4
[M-H]- 194.093494 141.9
[M+NH4]+ 213.134593 160.6
[M+K]+ 234.063928 148.1
[M+H-H2O]+ 178.098030 135.4
[M+HCOO]- 240.098971 159.7
[M+CH3COO]- 254.114621 179.6
[M+Na-2H]- 216.075436 147.5
[M]+ 195.10022142 141.3
[M]- 195.10131858 141.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe