CID 79198542

1511203-24-9

Structural Information

Molecular Formula

C₉H₁₄N₂O₂

SMILES

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

InChI

InChI=1S/C9H14N2O2/c1-9(2,13-3)8-10-5-4-7(6-12)11-8/h4-5,12H,6H2,1-3H3

InChIKey

HHSRLGQRMKBEKQ-UHFFFAOYSA-N

Compound name

[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.10553 Da
Monoisotopic Mass: -0.4
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]+	183.112806	140.6
[M+Na]+	205.094748	148.9
[M-H]-	181.098254	140.4
[M+NH4]+	200.139353	157.5
[M+K]+	221.068688	147.3
[M+H-H2O]+	165.102790	133.9
[M+HCOO]-	227.103731	159.9
[M+CH3COO]-	241.119381	179.6
[M+Na-2H]-	203.080196	148.3
[M]+	182.10498142	142.4
[M]-	182.10607858	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.