CID 138319515

1858221-49-4

Structural Information

Molecular Formula

C₁₈H₂₉NO₂

SMILES

CCCCCCCCOCCCN=CC1=CC=CC=C1O

InChI

InChI=1S/C18H29NO2/c1-2-3-4-5-6-9-14-21-15-10-13-19-16-17-11-7-8-12-18(17)20/h7-8,11-12,16,20H,2-6,9-10,13-15H2,1H3

InChIKey

WVLOYPKIPUQXMS-UHFFFAOYSA-N

Compound name

2-(3-octoxypropyliminomethyl)phenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 291.21982 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]+	292.227096	174.0
[M+Na]+	314.209038	177.8
[M-H]-	290.212544	176.1
[M+NH4]+	309.253643	189.4
[M+K]+	330.182978	174.1
[M+H-H2O]+	274.217080	166.0
[M+HCOO]-	336.218021	197.2
[M+CH3COO]-	350.233671	207.0
[M+Na-2H]-	312.194486	176.9
[M]+	291.21927142	178.9
[M]-	291.22036858	178.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe