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

17
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

literature stripe

Patent stripe

patents stripe