CID 103774

53350-33-7

Structural Information

Molecular Formula

C₁₄H₂₁NO

SMILES

CC1CC(N(C2=CC=CC=C12)CCO)(C)C

InChI

InChI=1S/C14H21NO/c1-11-10-14(2,3)15(8-9-16)13-7-5-4-6-12(11)13/h4-7,11,16H,8-10H2,1-3H3

InChIKey

UTQYEARNAQZWGU-UHFFFAOYSA-N

Compound name

2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 30
Patents: 219.16231 Da
Monoisotopic Mass: 2.7
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]+	220.169586	151.6
[M+Na]+	242.151528	159.6
[M-H]-	218.155034	153.4
[M+NH4]+	237.196133	171.8
[M+K]+	258.125468	155.9
[M+H-H2O]+	202.159570	145.4
[M+HCOO]-	264.160511	168.9
[M+CH3COO]-	278.176161	189.5
[M+Na-2H]-	240.136976	156.8
[M]+	219.16176142	150.7
[M]-	219.16285858	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe