CID 408991

51387-92-9

Structural Information

Molecular Formula

C₁₁H₁₈N₂O

SMILES

CCN(CC)CC1=C(C=CC(=C1)N)O

InChI

InChI=1S/C11H18N2O/c1-3-13(4-2)8-9-7-10(12)5-6-11(9)14/h5-7,14H,3-4,8,12H2,1-2H3

InChIKey

KRQUHMFZMVSALZ-UHFFFAOYSA-N

Compound name

4-amino-2-(diethylaminomethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 2144
Patents: 194.1419 Da
Monoisotopic Mass: 1.5
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	144.8
[M+Na]+	217.13112	155.4
[M+NH4]+	212.17572	152.8
[M+K]+	233.10506	149.6
[M-H]-	193.13462	147.8
[M+Na-2H]-	215.11657	150.6
[M]+	194.14135	146.9
[M]-	194.14245	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe