CID 16769213

3-methyl-2-(propylamino)butanoic acid hydrochloride

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

CCCNC(C(C)C)C(=O)O

InChI

InChI=1S/C8H17NO2/c1-4-5-9-7(6(2)3)8(10)11/h6-7,9H,4-5H2,1-3H3,(H,10,11)

InChIKey

SXDSPQBVBYCOKT-UHFFFAOYSA-N

Compound name

3-methyl-2-(propylamino)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 159.12593 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]+	160.13321	137.8
[M+Na]+	182.11515	145.1
[M+NH4]+	177.15975	144.1
[M+K]+	198.08909	141.8
[M-H]-	158.11865	136.1
[M+Na-2H]-	180.10060	139.2
[M]+	159.12538	137.8
[M]-	159.12648	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe