CID 13735415

4-(dipropylamino)butanoic acid hydrochloride

Structural Information

Molecular Formula

C₁₀H₂₁NO₂

SMILES

CCCN(CCC)CCCC(=O)O

InChI

InChI=1S/C10H21NO2/c1-3-7-11(8-4-2)9-5-6-10(12)13/h3-9H2,1-2H3,(H,12,13)

InChIKey

KFIQIGCCTMBCOH-UHFFFAOYSA-N

Compound name

4-(dipropylamino)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 37
Patents: 187.15723 Da
Monoisotopic Mass: -0.4
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]+	188.164506	147.1
[M+Na]+	210.146448	151.6
[M-H]-	186.149954	146.7
[M+NH4]+	205.191053	166.5
[M+K]+	226.120388	151.5
[M+H-H2O]+	170.154490	141.3
[M+HCOO]-	232.155431	169.2
[M+CH3COO]-	246.171081	188.8
[M+Na-2H]-	208.131896	149.6
[M]+	187.15668142	149.9
[M]-	187.15777858	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe