CID 533890

Methyl 2-aminopentanoate

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

CCCC(C(=O)OC)N

InChI

InChI=1S/C6H13NO2/c1-3-4-5(7)6(8)9-2/h5H,3-4,7H2,1-2H3

InChIKey

VXGRMCZTYDXKQW-UHFFFAOYSA-N

Compound name

methyl 2-aminopentanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 607
Patents: 131.09464 Da
Monoisotopic Mass: 0.5
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	128.4
[M+Na]+	154.08386	136.8
[M+NH4]+	149.12846	135.4
[M+K]+	170.05780	133.0
[M-H]-	130.08736	127.4
[M+Na-2H]-	152.06931	130.9
[M]+	131.09409	128.9
[M]-	131.09519	128.9

Literature stripe

literature stripe

Patent stripe

patents stripe