CID 21092

2-[(diethylamino)methyl]phenol

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

CCN(CC)CC1=CC=CC=C1O

InChI

InChI=1S/C11H17NO/c1-3-12(4-2)9-10-7-5-6-8-11(10)13/h5-8,13H,3-4,9H2,1-2H3

InChIKey

IGXXOUGMPVOZFH-UHFFFAOYSA-N

Compound name

2-(diethylaminomethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 270
Patents: 179.13101 Da
Monoisotopic Mass: 1.6
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]+	180.138286	140.6
[M+Na]+	202.120228	147.0
[M-H]-	178.123734	144.2
[M+NH4]+	197.164833	160.7
[M+K]+	218.094168	145.6
[M+H-H2O]+	162.128270	134.5
[M+HCOO]-	224.129211	164.8
[M+CH3COO]-	238.144861	186.2
[M+Na-2H]-	200.105676	146.1
[M]+	179.13046142	141.7
[M]-	179.13155858	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe