CID 6472

Caramiphen

Structural Information

Molecular Formula

C₁₈H₂₇NO₂

SMILES

CCN(CC)CCOC(=O)C1(CCCC1)C2=CC=CC=C2

InChI

InChI=1S/C18H27NO2/c1-3-19(4-2)14-15-21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3

InChIKey

OFAIGZWCDGNZGT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 122
References: 5455
Patents: 289.2042 Da
Monoisotopic Mass: 3.9
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]+	290.211476	173.3
[M+Na]+	312.193418	176.1
[M-H]-	288.196924	179.9
[M+NH4]+	307.238023	192.3
[M+K]+	328.167358	174.4
[M+H-H2O]+	272.201460	165.7
[M+HCOO]-	334.202401	195.3
[M+CH3COO]-	348.218051	205.8
[M+Na-2H]-	310.178866	174.1
[M]+	289.20365142	173.9
[M]-	289.20474858	173.9

Literature stripe

literature stripe

Patent stripe

patents stripe