CID 213938

27325-20-8

Structural Information

Molecular Formula

C₁₆H₂₅NO₂

SMILES

CC(C)(C)NCC(COC1=CC=CC=C1C2CC2)O

InChI

InChI=1S/C16H25NO2/c1-16(2,3)17-10-13(18)11-19-15-7-5-4-6-14(15)12-8-9-12/h4-7,12-13,17-18H,8-11H2,1-3H3

InChIKey

IZZAVDYBMMWWNF-UHFFFAOYSA-N

Compound name

1-(tert-butylamino)-3-(2-cyclopropylphenoxy)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 263.18854 Da
Monoisotopic Mass: 3.1
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]+	264.195816	159.0
[M+Na]+	286.177758	165.1
[M-H]-	262.181264	164.7
[M+NH4]+	281.222363	170.3
[M+K]+	302.151698	161.6
[M+H-H2O]+	246.185800	152.3
[M+HCOO]-	308.186741	179.4
[M+CH3COO]-	322.202391	201.4
[M+Na-2H]-	284.163206	163.2
[M]+	263.18799142	162.2
[M]-	263.18908858	162.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe