CID 129318333

82961-02-2

Structural Information

Molecular Formula

C₁₅H₂₃NO₃

SMILES

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

InChI

InChI=1S/C15H23NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-9,12,14,16-17H,10-11H2,1-3H3

InChIKey

MGUWWYDYCIZGNU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 265.1678 Da
Monoisotopic Mass: 1.7
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]+	266.175076	165.0
[M+Na]+	288.157018	169.1
[M-H]-	264.160524	166.4
[M+NH4]+	283.201623	180.5
[M+K]+	304.130958	166.8
[M+H-H2O]+	248.165060	157.9
[M+HCOO]-	310.166001	185.9
[M+CH3COO]-	324.181651	199.1
[M+Na-2H]-	286.142466	166.5
[M]+	265.16725142	167.0
[M]-	265.16834858	167.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe