CID 136303942

879499-48-6

Structural Information

Molecular Formula
C8H11N3O
SMILES
CC1=CC(=O)N2CCCNC2=N1
InChI
InChI=1S/C8H11N3O/c1-6-5-7(12)11-4-2-3-9-8(11)10-6/h5H,2-4H2,1H3,(H,9,10)
InChIKey
MADHWMDQHIWPOM-UHFFFAOYSA-N
Compound name
2-methyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

165.09021 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.09749 134.7
[M+Na]+ 188.07943 143.8
[M-H]- 164.08293 133.8
[M+NH4]+ 183.12403 151.8
[M+K]+ 204.05337 140.1
[M+H-H2O]+ 148.08747 127.0
[M+HCOO]- 210.08841 151.5
[M+CH3COO]- 224.10406 146.7
[M+Na-2H]- 186.06488 142.7
[M]+ 165.08966 131.4
[M]- 165.09076 131.4
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