CID 3049326

64656-40-2

Structural Information

Molecular Formula

C₁₄H₂₃NO

SMILES

CCCN(CCC)CCC1=CC(=CC=C1)O

InChI

InChI=1S/C14H23NO/c1-3-9-15(10-4-2)11-8-13-6-5-7-14(16)12-13/h5-7,12,16H,3-4,8-11H2,1-2H3

InChIKey

ZNNWOWADALHHDU-UHFFFAOYSA-N

Compound name

3-[2-(dipropylamino)ethyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 221.17796 Da
Monoisotopic Mass: 3.7
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]+	222.185236	154.6
[M+Na]+	244.167178	159.7
[M-H]-	220.170684	157.6
[M+NH4]+	239.211783	172.9
[M+K]+	260.141118	157.5
[M+H-H2O]+	204.175220	147.8
[M+HCOO]-	266.176161	177.8
[M+CH3COO]-	280.191811	195.3
[M+Na-2H]-	242.152626	158.4
[M]+	221.17741142	156.8
[M]-	221.17850858	156.8

Literature stripe

literature stripe

Patent stripe

patents stripe