CID 163499

85929-96-0

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

CC(C)(C)C1=NC=C(C=N1)O

InChI

InChI=1S/C8H12N2O/c1-8(2,3)7-9-4-6(11)5-10-7/h4-5,11H,1-3H3

InChIKey

JARZKOYAUVCWCZ-UHFFFAOYSA-N

Compound name

2-tert-butylpyrimidin-5-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 97
Patents: 152.09496 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	153.10224	133.1
[M+Na]+	175.08418	142.1
[M-H]-	151.08768	133.2
[M+NH4]+	170.12878	151.4
[M+K]+	191.05812	140.2
[M+H-H2O]+	135.09222	126.9
[M+HCOO]-	197.09316	152.5
[M+CH3COO]-	211.10881	173.8
[M+Na-2H]-	173.06963	141.3
[M]+	152.09441	133.0
[M]-	152.09551	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe