CID 3064064

O-(2-(dimethylamino)propyl)phenol hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

CC(CC1=CC=CC=C1O)N(C)C

InChI

InChI=1S/C11H17NO/c1-9(12(2)3)8-10-6-4-5-7-11(10)13/h4-7,9,13H,8H2,1-3H3

InChIKey

NOSUUDNWGFFOOL-UHFFFAOYSA-N

Compound name

2-[2-(dimethylamino)propyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 179.13101 Da
Monoisotopic Mass: 2.4
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]+	180.13829	140.9
[M+Na]+	202.12023	147.0
[M-H]-	178.12373	144.6
[M+NH4]+	197.16483	160.9
[M+K]+	218.09417	146.1
[M+H-H2O]+	162.12827	134.9
[M+HCOO]-	224.12921	164.1
[M+CH3COO]-	238.14486	187.1
[M+Na-2H]-	200.10568	145.1
[M]+	179.13046	141.4
[M]-	179.13156	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe