CID 351690

Zinc, bis(n,n-dipropyl-.beta.-alaninato-.kappa.n,.kappa.o)-, (t-4)-

Structural Information

Molecular Formula

C₉H₁₉NO₂

SMILES

CCCN(CCC)CCC(=O)O

InChI

InChI=1S/C9H19NO2/c1-3-6-10(7-4-2)8-5-9(11)12/h3-8H2,1-2H3,(H,11,12)

InChIKey

OMEAIFQIIGBCPE-UHFFFAOYSA-N

Compound name

3-(dipropylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 173.14159 Da
Monoisotopic Mass: -0.7
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]+	174.14887	141.4
[M+Na]+	196.13081	149.4
[M+NH4]+	191.17541	148.1
[M+K]+	212.10475	144.8
[M-H]-	172.13431	140.4
[M+Na-2H]-	194.11626	143.6
[M]+	173.14104	141.8
[M]-	173.14214	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe