CID 202162

7588-19-4

Structural Information

Molecular Formula

C₁₃H₂₂N₂O

SMILES

CCCNCC(CNC1=CC=C(C=C1)C)O

InChI

InChI=1S/C13H22N2O/c1-3-8-14-9-13(16)10-15-12-6-4-11(2)5-7-12/h4-7,13-16H,3,8-10H2,1-2H3

InChIKey

LRKHSSWFQRVLEO-UHFFFAOYSA-N

Compound name

1-(4-methylanilino)-3-(propylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 222.17322 Da
Monoisotopic Mass: 2.7
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]+	223.18050	154.2
[M+Na]+	245.16244	163.8
[M+NH4]+	240.20704	161.7
[M+K]+	261.13638	157.4
[M-H]-	221.16594	156.8
[M+Na-2H]-	243.14789	159.6
[M]+	222.17267	156.0
[M]-	222.17377	156.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.