CID 49712

67239-18-3

Structural Information

Molecular Formula

C₁₆H₂₃NO₂

SMILES

CCN(CC)CCOC(=O)C1(CC1)C2=CC=CC=C2

InChI

InChI=1S/C16H23NO2/c1-3-17(4-2)12-13-19-15(18)16(10-11-16)14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3

InChIKey

TVKWWWWNRZRAFI-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 1-phenylcyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 261.17288 Da
Monoisotopic Mass: 2.8
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]+	262.180156	162.1
[M+Na]+	284.162098	168.5
[M-H]-	260.165604	170.3
[M+NH4]+	279.206703	176.2
[M+K]+	300.136038	167.2
[M+H-H2O]+	244.170140	155.2
[M+HCOO]-	306.171081	185.8
[M+CH3COO]-	320.186731	204.4
[M+Na-2H]-	282.147546	166.6
[M]+	261.17233142	168.0
[M]-	261.17342858	168.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe