CID 198257

50315-49-6

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

CC(C)(C)C(=O)OCC1=CC=CC=N1

InChI

InChI=1S/C11H15NO2/c1-11(2,3)10(13)14-8-9-6-4-5-7-12-9/h4-7H,8H2,1-3H3

InChIKey

NOJLBQFOLJCBDO-UHFFFAOYSA-N

Compound name

pyridin-2-ylmethyl 2,2-dimethylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 193.11028 Da
Monoisotopic Mass: 2.0
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]+	194.11756	143.3
[M+Na]+	216.09950	150.5
[M-H]-	192.10300	145.6
[M+NH4]+	211.14410	161.7
[M+K]+	232.07344	149.4
[M+H-H2O]+	176.10754	137.0
[M+HCOO]-	238.10848	164.1
[M+CH3COO]-	252.12413	182.9
[M+Na-2H]-	214.08495	150.1
[M]+	193.10973	145.4
[M]-	193.11083	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe