CID 27292

15451-15-7

Structural Information

Molecular Formula

C₁₃H₂₁NO

SMILES

CC(C)(CN(C)C)C(C1=CC=CC=C1)O

InChI

InChI=1S/C13H21NO/c1-13(2,10-14(3)4)12(15)11-8-6-5-7-9-11/h5-9,12,15H,10H2,1-4H3

InChIKey

NLLRYOWAAFLGMW-UHFFFAOYSA-N

Compound name

3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 207.16231 Da
Monoisotopic Mass: 2.3
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]+	208.169586	149.9
[M+Na]+	230.151528	154.7
[M-H]-	206.155034	153.2
[M+NH4]+	225.196133	168.6
[M+K]+	246.125468	153.7
[M+H-H2O]+	190.159570	143.9
[M+HCOO]-	252.160511	170.9
[M+CH3COO]-	266.176161	192.3
[M+Na-2H]-	228.136976	154.5
[M]+	207.16176142	150.2
[M]-	207.16285858	150.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.