CID 71875

Cyprodenate

Structural Information

Molecular Formula

C₁₃H₂₅NO₂

SMILES

CN(C)CCOC(=O)CCC1CCCCC1

InChI

InChI=1S/C13H25NO2/c1-14(2)10-11-16-13(15)9-8-12-6-4-3-5-7-12/h12H,3-11H2,1-2H3

InChIKey

MPOYJPINNSIHAK-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl 3-cyclohexylpropanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 321
Patents: 227.18852 Da
Monoisotopic Mass: 3.2
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]+	228.195796	157.3
[M+Na]+	250.177738	159.2
[M-H]-	226.181244	160.5
[M+NH4]+	245.222343	175.4
[M+K]+	266.151678	159.3
[M+H-H2O]+	210.185780	150.3
[M+HCOO]-	272.186721	177.3
[M+CH3COO]-	286.202371	196.2
[M+Na-2H]-	248.163186	158.6
[M]+	227.18797142	156.3
[M]-	227.18906858	156.3

Literature stripe

literature stripe

Patent stripe

patents stripe