CID 3047494

Sl-d.230

Structural Information

Molecular Formula

C₁₆H₂₅NO₃

SMILES

CC(C)NCC(COC1=CC=C(C=C1)OCC2CC2)O

InChI

InChI=1S/C16H25NO3/c1-12(2)17-9-14(18)11-20-16-7-5-15(6-8-16)19-10-13-3-4-13/h5-8,12-14,17-18H,3-4,9-11H2,1-2H3

InChIKey

BGTPDTUZXVFKOP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 279.18344 Da
Monoisotopic Mass: 2.4
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]+	280.190716	162.3
[M+Na]+	302.172658	167.6
[M-H]-	278.176164	167.7
[M+NH4]+	297.217263	172.6
[M+K]+	318.146598	164.4
[M+H-H2O]+	262.180700	154.9
[M+HCOO]-	324.181641	183.4
[M+CH3COO]-	338.197291	204.5
[M+Na-2H]-	300.158106	164.5
[M]+	279.18289142	166.8
[M]-	279.18398858	166.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe