CID 65653

Arnolol

Structural Information

Molecular Formula

C₁₄H₂₃NO₃

SMILES

CC(C)(C(COC1=CC=C(C=C1)CCOC)O)N

InChI

InChI=1S/C14H23NO3/c1-14(2,15)13(16)10-18-12-6-4-11(5-7-12)8-9-17-3/h4-7,13,16H,8-10,15H2,1-3H3

InChIKey

LAWLHMWODZUZJH-UHFFFAOYSA-N

Compound name

3-amino-1-[4-(2-methoxyethyl)phenoxy]-3-methylbutan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 86
Patents: 253.1678 Da
Monoisotopic Mass: 1.1
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]+	254.175076	161.4
[M+Na]+	276.157018	166.2
[M-H]-	252.160524	162.6
[M+NH4]+	271.201623	177.3
[M+K]+	292.130958	164.4
[M+H-H2O]+	236.165060	155.0
[M+HCOO]-	298.166001	181.2
[M+CH3COO]-	312.181651	196.6
[M+Na-2H]-	274.142466	164.4
[M]+	253.16725142	163.0
[M]-	253.16834858	163.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe