CID 28830294

2377035-78-2

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

CCCCCNCCC(=O)O

InChI

InChI=1S/C8H17NO2/c1-2-3-4-6-9-7-5-8(10)11/h9H,2-7H2,1H3,(H,10,11)

InChIKey

HLIKIPDETHLRHM-UHFFFAOYSA-N

Compound name

3-(pentylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 131
Patents: 159.12593 Da
Monoisotopic Mass: -1.2
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	145.0
[M+NH4]+	177.15975	143.6
[M+K]+	198.08909	140.1
[M-H]-	158.11865	135.7
[M+Na-2H]-	180.10060	139.2
[M]+	159.12538	137.3
[M]-	159.12648	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe