CID 75735

Methyl 2-amino-3-methylpentanoate

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

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

InChI

InChI=1S/C7H15NO2/c1-4-5(2)6(8)7(9)10-3/h5-6H,4,8H2,1-3H3/t5-,6-/m0/s1

InChIKey

YXMMTUJDQTVJEN-WDSKDSINSA-N

Compound name

methyl (2S,3S)-2-amino-3-methylpentanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 1667
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]+	146.11756	133.1
[M+Na]+	168.09950	141.0
[M+NH4]+	163.14410	139.9
[M+K]+	184.07344	137.8
[M-H]-	144.10300	131.8
[M+Na-2H]-	166.08495	135.0
[M]+	145.10973	133.4
[M]-	145.11083	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe