CID 20035203

Methyl3-amino-2,2-dimethylpentanoatehydrochloride

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

CCC(C(C)(C)C(=O)OC)N

InChI

InChI=1S/C8H17NO2/c1-5-6(9)8(2,3)7(10)11-4/h6H,5,9H2,1-4H3

InChIKey

FOVSZVDATSPSOM-UHFFFAOYSA-N

Compound name

methyl 3-amino-2,2-dimethylpentanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 159.12593 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]+	160.13321	137.0
[M+Na]+	182.11515	144.7
[M+NH4]+	177.15975	143.5
[M+K]+	198.08909	141.7
[M-H]-	158.11865	135.2
[M+Na-2H]-	180.10060	138.9
[M]+	159.12538	137.2
[M]-	159.12648	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe