CID 65220226

Methyl 2-(aminomethyl)pentanoate hydrochloride

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

CCCC(CN)C(=O)OC

InChI

InChI=1S/C7H15NO2/c1-3-4-6(5-8)7(9)10-2/h6H,3-5,8H2,1-2H3

InChIKey

XKSDBHSCRDECIK-UHFFFAOYSA-N

Compound name

methyl 2-(aminomethyl)pentanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 145.11028 Da
Monoisotopic Mass: 0.6
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	133.8
[M+Na]+	168.099498	139.7
[M-H]-	144.103004	133.5
[M+NH4]+	163.144103	154.8
[M+K]+	184.073438	140.0
[M+H-H2O]+	128.107540	128.8
[M+HCOO]-	190.108481	156.4
[M+CH3COO]-	204.124131	178.4
[M+Na-2H]-	166.084946	136.9
[M]+	145.10973142	134.4
[M]-	145.11082858	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe