CID 4349346

5,6-dihydro-4,6,6-trimethyl-2(1h)-pyrimidinone

Structural Information

Molecular Formula
C7H12N2O
SMILES
CC1=NC(=O)NC(C1)(C)C
InChI
InChI=1S/C7H12N2O/c1-5-4-7(2,3)9-6(10)8-5/h4H2,1-3H3,(H,9,10)
InChIKey
GUVOEDHJAAMGBB-UHFFFAOYSA-N
Compound name
4,6,6-trimethyl-1,5-dihydropyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.09496 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10224 128.5
[M+Na]+ 163.08418 137.5
[M-H]- 139.08768 128.5
[M+NH4]+ 158.12878 149.3
[M+K]+ 179.05812 135.7
[M+H-H2O]+ 123.09222 123.1
[M+HCOO]- 185.09316 147.2
[M+CH3COO]- 199.10881 171.7
[M+Na-2H]- 161.06963 135.2
[M]+ 140.09441 125.9
[M]- 140.09551 125.9
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.