CID 3047492

Sl-d.224

Structural Information

Molecular Formula

C₁₇H₂₇NO₃

SMILES

CC(C)NCC(COC1=CC=C(C=C1)COCC2CC2)O

InChI

InChI=1S/C17H27NO3/c1-13(2)18-9-16(19)12-21-17-7-5-15(6-8-17)11-20-10-14-3-4-14/h5-8,13-14,16,18-19H,3-4,9-12H2,1-2H3

InChIKey

UOKWVICUCYNXFO-UHFFFAOYSA-N

Compound name

1-[4-(cyclopropylmethoxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 293.1991 Da
Monoisotopic Mass: 2.0
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]+	294.206376	166.4
[M+Na]+	316.188318	171.3
[M-H]-	292.191824	171.6
[M+NH4]+	311.232923	176.2
[M+K]+	332.162258	167.9
[M+H-H2O]+	276.196360	158.8
[M+HCOO]-	338.197301	187.3
[M+CH3COO]-	352.212951	207.3
[M+Na-2H]-	314.173766	168.2
[M]+	293.19855142	171.3
[M]-	293.19964858	171.3

Literature stripe

literature stripe

Patent stripe

patents stripe