CID 14434917

126230-74-8

Structural Information

Molecular Formula

C₉H₁₄N₂O

SMILES

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

InChI

InChI=1S/C9H14N2O/c1-9(2,3)8-10-4-7(6-12)5-11-8/h4-5,12H,6H2,1-3H3

InChIKey

HJHBRWIYJRVZCK-UHFFFAOYSA-N

Compound name

(2-tert-butylpyrimidin-5-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 166.11061 Da
Monoisotopic Mass: 1.0
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]+	167.117886	137.7
[M+Na]+	189.099828	146.2
[M-H]-	165.103334	137.6
[M+NH4]+	184.144433	155.5
[M+K]+	205.073768	144.1
[M+H-H2O]+	149.107870	131.3
[M+HCOO]-	211.108811	156.8
[M+CH3COO]-	225.124461	176.9
[M+Na-2H]-	187.085276	145.4
[M]+	166.11006142	138.0
[M]-	166.11115858	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe