CID 203677

14992-02-0

Structural Information

Molecular Formula

C₁₉H₃₁NO

SMILES

CN(C)CCCC1=CC=C(C=C1)CCC2(CCCCC2)O

InChI

InChI=1S/C19H31NO/c1-20(2)16-6-7-17-8-10-18(11-9-17)12-15-19(21)13-4-3-5-14-19/h8-11,21H,3-7,12-16H2,1-2H3

InChIKey

PSNGXNGDQDSFIT-UHFFFAOYSA-N

Compound name

1-[2-[4-[3-(dimethylamino)propyl]phenyl]ethyl]cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 289.24057 Da
Monoisotopic Mass: 4.1
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]+	290.247846	174.0
[M+Na]+	312.229788	176.1
[M-H]-	288.233294	178.9
[M+NH4]+	307.274393	190.8
[M+K]+	328.203728	172.9
[M+H-H2O]+	272.237830	166.2
[M+HCOO]-	334.238771	192.6
[M+CH3COO]-	348.254421	206.4
[M+Na-2H]-	310.215236	175.8
[M]+	289.24002142	171.3
[M]-	289.24111858	171.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.