CID 136344293

1383777-82-9

Structural Information

Molecular Formula
C9H13N3O2
SMILES
CC1(CNC2=NC(=CC(=O)N2C1)O)C
InChI
InChI=1S/C9H13N3O2/c1-9(2)4-10-8-11-6(13)3-7(14)12(8)5-9/h3,13H,4-5H2,1-2H3,(H,10,11)
InChIKey
JNWHPZFZZTUMPZ-UHFFFAOYSA-N
Compound name
2-hydroxy-7,7-dimethyl-8,9-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

195.10077 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.10805 142.9
[M+Na]+ 218.08999 152.9
[M-H]- 194.09349 141.2
[M+NH4]+ 213.13459 160.4
[M+K]+ 234.06393 149.1
[M+H-H2O]+ 178.09803 136.0
[M+HCOO]- 240.09897 158.0
[M+CH3COO]- 254.11462 179.1
[M+Na-2H]- 216.07544 150.2
[M]+ 195.10022 140.3
[M]- 195.10132 140.3
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