CID 59336135

4,6-diisopropylpyrimidin-2(1h)-one

Structural Information

Molecular Formula
C10H16N2O
SMILES
CC(C)C1=CC(=NC(=O)N1)C(C)C
InChI
InChI=1S/C10H16N2O/c1-6(2)8-5-9(7(3)4)12-10(13)11-8/h5-7H,1-4H3,(H,11,12,13)
InChIKey
ZMZZIYWIPKNTRI-UHFFFAOYSA-N
Compound name
4,6-di(propan-2-yl)-1H-pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

180.12627 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.13355 139.8
[M+Na]+ 203.11549 148.2
[M-H]- 179.11899 139.8
[M+NH4]+ 198.16009 157.0
[M+K]+ 219.08943 145.7
[M+H-H2O]+ 163.12353 133.1
[M+HCOO]- 225.12447 158.4
[M+CH3COO]- 239.14012 182.3
[M+Na-2H]- 201.10094 143.3
[M]+ 180.12572 139.6
[M]- 180.12682 139.6
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.