CID 17540

N,n-dicyclohexylgycine ethyl ester

Structural Information

Molecular Formula

C₁₆H₂₉NO₂

SMILES

CCOC(=O)CN(C1CCCCC1)C2CCCCC2

InChI

InChI=1S/C16H29NO2/c1-2-19-16(18)13-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h14-15H,2-13H2,1H3

InChIKey

YFNGCKXAIRGJTA-UHFFFAOYSA-N

Compound name

ethyl 2-(dicyclohexylamino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 267.21982 Da
Monoisotopic Mass: 4.2
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]+	268.22710	167.7
[M+Na]+	290.20904	166.3
[M-H]-	266.21254	172.7
[M+NH4]+	285.25364	183.2
[M+K]+	306.18298	165.6
[M+H-H2O]+	250.21708	159.3
[M+HCOO]-	312.21802	183.7
[M+CH3COO]-	326.23367	202.0
[M+Na-2H]-	288.19449	166.9
[M]+	267.21927	160.7
[M]-	267.22037	160.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe