CID 173957

2-tert-butyl-6-methyl-3-hydroxypyridine

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

CC1=NC(=C(C=C1)O)C(C)(C)C

InChI

InChI=1S/C10H15NO/c1-7-5-6-8(12)9(11-7)10(2,3)4/h5-6,12H,1-4H3

InChIKey

GLANSBWYIOWFBX-UHFFFAOYSA-N

Compound name

2-tert-butyl-6-methylpyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 2
Patents: 165.11537 Da
Monoisotopic Mass: 2.6
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]+	166.122646	136.3
[M+Na]+	188.104588	145.3
[M-H]-	164.108094	138.0
[M+NH4]+	183.149193	155.8
[M+K]+	204.078528	143.2
[M+H-H2O]+	148.112630	131.0
[M+HCOO]-	210.113571	156.4
[M+CH3COO]-	224.129221	178.3
[M+Na-2H]-	186.090036	142.8
[M]+	165.11482142	136.9
[M]-	165.11591858	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe