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

7
Patents

195.10077 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.108046 142.9
[M+Na]+ 218.089988 152.9
[M-H]- 194.093494 141.2
[M+NH4]+ 213.134593 160.4
[M+K]+ 234.063928 149.1
[M+H-H2O]+ 178.098030 136.0
[M+HCOO]- 240.098971 158.0
[M+CH3COO]- 254.114621 179.1
[M+Na-2H]- 216.075436 150.2
[M]+ 195.10022142 140.3
[M]- 195.10131858 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