CID 18667677

Methyl 3-amino-3-methylbutanoate

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

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

InChI

InChI=1S/C6H13NO2/c1-6(2,7)4-5(8)9-3/h4,7H2,1-3H3

InChIKey

JOTOUSGKSPPFQF-UHFFFAOYSA-N

Compound name

methyl 3-amino-3-methylbutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 138
Patents: 131.09464 Da
Monoisotopic Mass: -0.3
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]+	132.10192	128.1
[M+Na]+	154.08386	135.1
[M-H]-	130.08736	128.3
[M+NH4]+	149.12846	149.9
[M+K]+	170.05780	135.7
[M+H-H2O]+	114.09190	124.0
[M+HCOO]-	176.09284	150.5
[M+CH3COO]-	190.10849	174.7
[M+Na-2H]-	152.06931	133.8
[M]+	131.09409	128.6
[M]-	131.09519	128.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe