CID 82125757

2580205-19-0

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

CC(CC1=CC=CC=N1)(C(=O)OC)N

InChI

InChI=1S/C10H14N2O2/c1-10(11,9(13)14-2)7-8-5-3-4-6-12-8/h3-6H,7,11H2,1-2H3

InChIKey

NFFPJHQUGBBHMO-UHFFFAOYSA-N

Compound name

methyl 2-amino-2-methyl-3-pyridin-2-ylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.10553 Da
Monoisotopic Mass: 0.4
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]+	195.112806	143.3
[M+Na]+	217.094748	149.9
[M-H]-	193.098254	145.1
[M+NH4]+	212.139353	160.8
[M+K]+	233.068688	148.6
[M+H-H2O]+	177.102790	136.6
[M+HCOO]-	239.103731	164.8
[M+CH3COO]-	253.119381	184.8
[M+Na-2H]-	215.080196	149.8
[M]+	194.10498142	143.3
[M]-	194.10607858	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.