CID 15874

1877-26-5

Structural Information

Molecular Formula

C₁₈H₂₉NO₂

SMILES

CCN(CC)CC(=O)OC1=C(C=CC=C1C(C)C)C(C)C

InChI

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

InChIKey

WWAHBRITKDVAEE-UHFFFAOYSA-N

Compound name

[2,6-di(propan-2-yl)phenyl] 2-(diethylamino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 291.21982 Da
Monoisotopic Mass: 4.7
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	174.2
[M+Na]+	314.209038	178.5
[M-H]-	290.212544	178.6
[M+NH4]+	309.253643	190.4
[M+K]+	330.182978	177.8
[M+H-H2O]+	274.217080	166.9
[M+HCOO]-	336.218021	194.9
[M+CH3COO]-	350.233671	214.2
[M+Na-2H]-	312.194486	172.1
[M]+	291.21927142	178.9
[M]-	291.22036858	178.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.