CID 76223581

L-2-amino-3-methylenehexanoic acid

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CCCC(=C)C(C(=O)O)N

InChI

InChI=1S/C7H13NO2/c1-3-4-5(2)6(8)7(9)10/h6H,2-4,8H2,1H3,(H,9,10)

InChIKey

ZJMPUKNPMYTOOX-UHFFFAOYSA-N

Compound name

2-amino-3-methylidenehexanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 143.09464 Da
Monoisotopic Mass: -1.0
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]+	144.101916	133.2
[M+Na]+	166.083858	138.6
[M-H]-	142.087364	131.5
[M+NH4]+	161.128463	153.2
[M+K]+	182.057798	137.9
[M+H-H2O]+	126.091900	128.4
[M+HCOO]-	188.092841	153.4
[M+CH3COO]-	202.108491	176.5
[M+Na-2H]-	164.069306	134.4
[M]+	143.09409142	130.5
[M]-	143.09518858	130.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.