CID 39340

42882-60-0

Structural Information

Molecular Formula

C₁₉H₃₁NO

SMILES

CCCN(CCC)CC(C1=CC2=C(CCCCC2)C=C1)O

InChI

InChI=1S/C19H31NO/c1-3-12-20(13-4-2)15-19(21)18-11-10-16-8-6-5-7-9-17(16)14-18/h10-11,14,19,21H,3-9,12-13,15H2,1-2H3

InChIKey

FECVVQXGTDBXLR-UHFFFAOYSA-N

Compound name

2-(dipropylamino)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 289.24057 Da
Monoisotopic Mass: 4.8
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]+	290.247846	169.6
[M+Na]+	312.229788	170.3
[M-H]-	288.233294	173.5
[M+NH4]+	307.274393	184.8
[M+K]+	328.203728	171.7
[M+H-H2O]+	272.237830	163.6
[M+HCOO]-	334.238771	186.6
[M+CH3COO]-	348.254421	209.3
[M+Na-2H]-	310.215236	170.9
[M]+	289.24002142	165.8
[M]-	289.24111858	165.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.