CID 17539

N,n-dihexylglycine ethyl ester

Structural Information

Molecular Formula

C₁₆H₃₃NO₂

SMILES

CCCCCCN(CCCCCC)CC(=O)OCC

InChI

InChI=1S/C16H33NO2/c1-4-7-9-11-13-17(14-12-10-8-5-2)15-16(18)19-6-3/h4-15H2,1-3H3

InChIKey

CWZCDPXXTWLHPO-UHFFFAOYSA-N

Compound name

ethyl 2-(dihexylamino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 271.25113 Da
Monoisotopic Mass: 5.2
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]+	272.258406	174.4
[M+Na]+	294.240348	176.9
[M-H]-	270.243854	174.4
[M+NH4]+	289.284953	191.3
[M+K]+	310.214288	176.2
[M+H-H2O]+	254.248390	167.4
[M+HCOO]-	316.249331	196.1
[M+CH3COO]-	330.264981	208.8
[M+Na-2H]-	292.225796	174.3
[M]+	271.25058142	181.5
[M]-	271.25167858	181.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe