CID 23093914

754218-88-7

Structural Information

Molecular Formula

C₉H₁₃NO₂

SMILES

CC(C)OC1=NC=CC(=C1)CO

InChI

InChI=1S/C9H13NO2/c1-7(2)12-9-5-8(6-11)3-4-10-9/h3-5,7,11H,6H2,1-2H3

InChIKey

HYBALJMVPJTQQE-UHFFFAOYSA-N

Compound name

(2-propan-2-yloxy-4-pyridinyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 167.09464 Da
Monoisotopic Mass: 1.1
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]+	168.101916	135.2
[M+Na]+	190.083858	142.9
[M-H]-	166.087364	136.3
[M+NH4]+	185.128463	154.0
[M+K]+	206.057798	141.5
[M+H-H2O]+	150.091900	129.0
[M+HCOO]-	212.092841	156.5
[M+CH3COO]-	226.108491	177.3
[M+Na-2H]-	188.069306	141.1
[M]+	167.09409142	136.4
[M]-	167.09518858	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe