CID 54152

78265-97-1

Structural Information

Molecular Formula

C₁₈H₂₉NO₂

SMILES

CCCCCCCCCCOC(=O)C(C1=CC=CC=C1)N

InChI

InChI=1S/C18H29NO2/c1-2-3-4-5-6-7-8-12-15-21-18(20)17(19)16-13-10-9-11-14-16/h9-11,13-14,17H,2-8,12,15,19H2,1H3

InChIKey

ROIZQRYKKYYICR-UHFFFAOYSA-N

Compound name

decyl 2-amino-2-phenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 291.21982 Da
Monoisotopic Mass: 5.4
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]+	292.227096	176.5
[M+Na]+	314.209038	178.8
[M-H]-	290.212544	177.8
[M+NH4]+	309.253643	191.1
[M+K]+	330.182978	175.7
[M+H-H2O]+	274.217080	168.5
[M+HCOO]-	336.218021	197.0
[M+CH3COO]-	350.233671	206.8
[M+Na-2H]-	312.194486	176.4
[M]+	291.21927142	178.6
[M]-	291.22036858	178.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe