CID 21957409

453548-59-9

Structural Information

Molecular Formula
C8H7N3O
SMILES
CC(=O)C1=CN=C2N1C=CC=N2
InChI
InChI=1S/C8H7N3O/c1-6(12)7-5-10-8-9-3-2-4-11(7)8/h2-5H,1H3
InChIKey
QBKNFNMOYDUGAF-UHFFFAOYSA-N
Compound name
1-imidazo[1,2-a]pyrimidin-3-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

161.05891 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.066186 130.2
[M+Na]+ 184.048128 141.5
[M-H]- 160.051634 131.6
[M+NH4]+ 179.092733 150.0
[M+K]+ 200.022068 139.0
[M+H-H2O]+ 144.056170 122.6
[M+HCOO]- 206.057111 152.7
[M+CH3COO]- 220.072761 144.5
[M+Na-2H]- 182.033576 138.5
[M]+ 161.05836142 132.8
[M]- 161.05945858 132.8
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