CID 135479012

69050-79-9

Structural Information

Molecular Formula
C12H20N2O
SMILES
CC(C)(C)C1=CC(=O)NC(=N1)C(C)(C)C
InChI
InChI=1S/C12H20N2O/c1-11(2,3)8-7-9(15)14-10(13-8)12(4,5)6/h7H,1-6H3,(H,13,14,15)
InChIKey
PZLGMNBLXLMEIM-UHFFFAOYSA-N
Compound name
2,4-ditert-butyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

208.15756 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.16484 150.0
[M+Na]+ 231.14678 159.0
[M-H]- 207.15028 150.3
[M+NH4]+ 226.19138 166.6
[M+K]+ 247.12072 156.0
[M+H-H2O]+ 191.15482 144.2
[M+HCOO]- 253.15576 166.7
[M+CH3COO]- 267.17141 186.1
[M+Na-2H]- 229.13223 156.3
[M]+ 208.15701 150.5
[M]- 208.15811 150.5
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.