CID 21673332

1-(pyridin-3-yl)pentan-3-ol

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

CCC(CCC1=CN=CC=C1)O

InChI

InChI=1S/C10H15NO/c1-2-10(12)6-5-9-4-3-7-11-8-9/h3-4,7-8,10,12H,2,5-6H2,1H3

InChIKey

PFKZVHVRYGFYPH-UHFFFAOYSA-N

Compound name

1-pyridin-3-ylpentan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 165.11537 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]+	166.12265	137.2
[M+Na]+	188.10459	143.5
[M-H]-	164.10809	137.7
[M+NH4]+	183.14919	155.7
[M+K]+	204.07853	141.3
[M+H-H2O]+	148.11263	130.7
[M+HCOO]-	210.11357	157.9
[M+CH3COO]-	224.12922	177.2
[M+Na-2H]-	186.09004	143.2
[M]+	165.11482	136.9
[M]-	165.11592	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe