CID 138536822

Methyl 2-methyl-2-(4-methylpyridin-2-yl)propanoate

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

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

InChI

InChI=1S/C11H15NO2/c1-8-5-6-12-9(7-8)11(2,3)10(13)14-4/h5-7H,1-4H3

InChIKey

BAWFBZICVKMKCN-UHFFFAOYSA-N

Compound name

methyl 2-methyl-2-(4-methyl-2-pyridinyl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
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]+	194.117556	142.2
[M+Na]+	216.099498	150.3
[M-H]-	192.103004	144.9
[M+NH4]+	211.144103	160.8
[M+K]+	232.073438	149.2
[M+H-H2O]+	176.107540	136.2
[M+HCOO]-	238.108481	163.0
[M+CH3COO]-	252.124131	184.8
[M+Na-2H]-	214.084946	148.3
[M]+	193.10973142	144.8
[M]-	193.11082858	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe