CID 65105

Methyl l-leucinate

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

CC(C)C[C@@H](C(=O)OC)N

InChI

InChI=1S/C7H15NO2/c1-5(2)4-6(8)7(9)10-3/h5-6H,4,8H2,1-3H3/t6-/m0/s1

InChIKey

QVDXUKJJGUSGLS-LURJTMIESA-N

Compound name

methyl (2S)-2-amino-4-methylpentanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 152
References: 5613
Patents: 145.11028 Da
Monoisotopic Mass: 0.9
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]+	146.117556	134.1
[M+Na]+	168.099498	139.8
[M-H]-	144.103004	133.9
[M+NH4]+	163.144103	155.0
[M+K]+	184.073438	140.6
[M+H-H2O]+	128.107540	129.2
[M+HCOO]-	190.108481	155.7
[M+CH3COO]-	204.124131	179.3
[M+Na-2H]-	166.084946	135.9
[M]+	145.10973142	134.1
[M]-	145.11082858	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe