CID 136559933

1-{5h,6h,7h,8h-imidazo[1,2-a]pyrimidin-3-yl}ethan-1-one

Structural Information

Molecular Formula
C8H11N3O
SMILES
CC(=O)C1=CN=C2N1CCCN2
InChI
InChI=1S/C8H11N3O/c1-6(12)7-5-10-8-9-3-2-4-11(7)8/h5H,2-4H2,1H3,(H,9,10)
InChIKey
RWMJUQICRMLPEM-UHFFFAOYSA-N
Compound name
1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.09021 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.09749 135.8
[M+Na]+ 188.07943 143.5
[M-H]- 164.08293 134.6
[M+NH4]+ 183.12403 154.4
[M+K]+ 204.05337 140.8
[M+H-H2O]+ 148.08747 128.3
[M+HCOO]- 210.08841 152.4
[M+CH3COO]- 224.10406 175.2
[M+Na-2H]- 186.06488 140.5
[M]+ 165.08966 132.2
[M]- 165.09076 132.2
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.