CID 209607

Brn 2470242

Structural Information

Molecular Formula

C₁₆H₂₅NO₃

SMILES

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

InChI

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

InChIKey

ONGNXHDHNBBYML-UHFFFAOYSA-N

Compound name

1-(2-methoxy-4-prop-2-enylphenoxy)-3-(propan-2-ylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 279.18344 Da
Monoisotopic Mass: 2.8
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	168.8
[M+Na]+	302.172658	173.4
[M-H]-	278.176164	170.4
[M+NH4]+	297.217263	184.0
[M+K]+	318.146598	170.9
[M+H-H2O]+	262.180700	161.8
[M+HCOO]-	324.181641	189.4
[M+CH3COO]-	338.197291	204.0
[M+Na-2H]-	300.158106	169.2
[M]+	279.18289142	171.7
[M]-	279.18398858	171.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe