CID 3053850

Anc 148

Structural Information

Molecular Formula

C₁₂H₂₃NO₃

SMILES

CN(C)CCOC(=O)COC1CCCCC1

InChI

InChI=1S/C12H23NO3/c1-13(2)8-9-15-12(14)10-16-11-6-4-3-5-7-11/h11H,3-10H2,1-2H3

InChIKey

ZFSQNMDPGDNXOY-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl 2-cyclohexyloxyacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.1678 Da
Monoisotopic Mass: 1.8
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]+	230.175076	155.5
[M+Na]+	252.157018	157.7
[M-H]-	228.160524	158.8
[M+NH4]+	247.201623	173.3
[M+K]+	268.130958	158.5
[M+H-H2O]+	212.165060	148.4
[M+HCOO]-	274.166001	176.0
[M+CH3COO]-	288.181651	195.2
[M+Na-2H]-	250.142466	157.3
[M]+	229.16725142	155.5
[M]-	229.16834858	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.