CID 4186341

Methyl 2-amino-2-methylpropanoate

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

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

InChI

InChI=1S/C5H11NO2/c1-5(2,6)4(7)8-3/h6H2,1-3H3

InChIKey

HMZHEECHJWHZJX-UHFFFAOYSA-N

Compound name

methyl 2-amino-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 154
References: 2498
Patents: 117.07898 Da
Monoisotopic Mass: -0.2
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]+	118.08626	123.5
[M+Na]+	140.06820	130.8
[M-H]-	116.07170	123.8
[M+NH4]+	135.11280	145.7
[M+K]+	156.04214	131.6
[M+H-H2O]+	100.07624	119.5
[M+HCOO]-	162.07718	146.2
[M+CH3COO]-	176.09283	171.7
[M+Na-2H]-	138.05365	129.6
[M]+	117.07843	123.5
[M]-	117.07953	123.5

Literature stripe

literature stripe

Patent stripe

patents stripe