CID 106761

67674-34-4

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C9H13NO/c1-3-9(2,11)8-6-4-5-7-10-8/h4-7,11H,3H2,1-2H3

InChIKey

KNIXQRNBAWQBAE-UHFFFAOYSA-N

Compound name

2-pyridin-2-ylbutan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 17
Patents: 151.09972 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]+	152.10700	132.6
[M+Na]+	174.08894	140.1
[M-H]-	150.09244	133.6
[M+NH4]+	169.13354	152.0
[M+K]+	190.06288	138.1
[M+H-H2O]+	134.09698	126.9
[M+HCOO]-	196.09792	153.1
[M+CH3COO]-	210.11357	173.6
[M+Na-2H]-	172.07439	141.1
[M]+	151.09917	132.1
[M]-	151.10027	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe