CID 3025107

Brn 0145094

Structural Information

Molecular Formula

C₁₁H₁₈N₂O

SMILES

CC(COCC1=CN=CC=C1)N(C)C

InChI

InChI=1S/C11H18N2O/c1-10(13(2)3)8-14-9-11-5-4-6-12-7-11/h4-7,10H,8-9H2,1-3H3

InChIKey

DEFXBODZFIAWSS-UHFFFAOYSA-N

Compound name

N,N-dimethyl-1-(pyridin-3-ylmethoxy)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 194.1419 Da
Monoisotopic Mass: 1.0
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]+	195.14918	145.2
[M+Na]+	217.13112	150.8
[M-H]-	193.13462	148.4
[M+NH4]+	212.17572	163.6
[M+K]+	233.10506	150.6
[M+H-H2O]+	177.13916	137.6
[M+HCOO]-	239.14010	168.6
[M+CH3COO]-	253.15575	191.2
[M+Na-2H]-	215.11657	150.8
[M]+	194.14135	147.7
[M]-	194.14245	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe