CID 139022471

2344678-81-3

Structural Information

Molecular Formula
C9H11N3O2
SMILES
CCOC(=O)C1=CN2C=NC=C2NC1
InChI
InChI=1S/C9H11N3O2/c1-2-14-9(13)7-3-11-8-4-10-6-12(8)5-7/h4-6,11H,2-3H2,1H3
InChIKey
XCKWQQPJUGFOGB-UHFFFAOYSA-N
Compound name
ethyl 1,2-dihydroimidazo[1,5-a]pyrimidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.08513 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.092406 141.5
[M+Na]+ 216.074348 149.7
[M-H]- 192.077854 140.6
[M+NH4]+ 211.118953 159.0
[M+K]+ 232.048288 147.1
[M+H-H2O]+ 176.082390 133.7
[M+HCOO]- 238.083331 159.4
[M+CH3COO]- 252.098981 179.2
[M+Na-2H]- 214.059796 146.8
[M]+ 193.08458142 141.0
[M]- 193.08567858 141.0
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

No patent data available for this compound.