CID 22978684

(6-tert-butylpyridin-3-yl)methanol

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

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

InChI

InChI=1S/C10H15NO/c1-10(2,3)9-5-4-8(7-12)6-11-9/h4-6,12H,7H2,1-3H3

InChIKey

RPUJAWBFTVIVNK-UHFFFAOYSA-N

Compound name

(6-tert-butyl-3-pyridinyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 165.11537 Da
Monoisotopic Mass: 1.7
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]+	166.122646	136.9
[M+Na]+	188.104588	145.1
[M-H]-	164.108094	138.2
[M+NH4]+	183.149193	156.2
[M+K]+	204.078528	142.9
[M+H-H2O]+	148.112630	131.4
[M+HCOO]-	210.113571	157.1
[M+CH3COO]-	224.129221	177.1
[M+Na-2H]-	186.090036	144.2
[M]+	165.11482142	137.2
[M]-	165.11591858	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe