CID 211200

22632-77-5

Structural Information

Molecular Formula

C₁₂H₂₅NO₂

SMILES

CCCC(CCC)C(=O)OCCN(C)C

InChI

InChI=1S/C12H25NO2/c1-5-7-11(8-6-2)12(14)15-10-9-13(3)4/h11H,5-10H2,1-4H3

InChIKey

FGGPZPNERVOOTL-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl 2-propylpentanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 215.18852 Da
Monoisotopic Mass: 3.0
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]+	216.195796	156.3
[M+Na]+	238.177738	160.3
[M-H]-	214.181244	157.2
[M+NH4]+	233.222343	175.5
[M+K]+	254.151678	161.1
[M+H-H2O]+	198.185780	150.2
[M+HCOO]-	260.186721	178.4
[M+CH3COO]-	274.202371	197.7
[M+Na-2H]-	236.163186	157.1
[M]+	215.18797142	161.2
[M]-	215.18906858	161.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.