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

19
Patents

180.12627 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.133546 139.8
[M+Na]+ 203.115488 148.2
[M-H]- 179.118994 139.8
[M+NH4]+ 198.160093 157.0
[M+K]+ 219.089428 145.7
[M+H-H2O]+ 163.123530 133.1
[M+HCOO]- 225.124471 158.4
[M+CH3COO]- 239.140121 182.3
[M+Na-2H]- 201.100936 143.3
[M]+ 180.12572142 139.6
[M]- 180.12681858 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

patents stripe