CID 21287980

107756-12-7

Structural Information

Molecular Formula

C₁₁H₁₅NO₃

SMILES

CC(C)(C)OC(=O)C1=CN=C(C=C1)CO

InChI

InChI=1S/C11H15NO3/c1-11(2,3)15-10(14)8-4-5-9(7-13)12-6-8/h4-6,13H,7H2,1-3H3

InChIKey

HMBUPGZRJCFUMY-UHFFFAOYSA-N

Compound name

tert-butyl 6-(hydroxymethyl)pyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 209.1052 Da
Monoisotopic Mass: 0.8
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]+	210.11248	146.5
[M+Na]+	232.09442	154.1
[M-H]-	208.09792	147.7
[M+NH4]+	227.13902	163.7
[M+K]+	248.06836	152.7
[M+H-H2O]+	192.10246	140.5
[M+HCOO]-	254.10340	166.0
[M+CH3COO]-	268.11905	183.5
[M+Na-2H]-	230.07987	152.1
[M]+	209.10465	148.6
[M]-	209.10575	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe