CID 207310

29632-49-3

Structural Information

Molecular Formula

C₁₅H₂₃NO₂

SMILES

CC(C)NCC(COC1=CC=C(C=C1)C2CC2)O

InChI

InChI=1S/C15H23NO2/c1-11(2)16-9-14(17)10-18-15-7-5-13(6-8-15)12-3-4-12/h5-8,11-12,14,16-17H,3-4,9-10H2,1-2H3

InChIKey

PHTXELQMXPREHU-UHFFFAOYSA-N

Compound name

1-(4-cyclopropylphenoxy)-3-(propan-2-ylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 249.17288 Da
Monoisotopic Mass: 2.3
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]+	250.180156	154.6
[M+Na]+	272.162098	160.5
[M-H]-	248.165604	160.2
[M+NH4]+	267.206703	166.2
[M+K]+	288.136038	157.1
[M+H-H2O]+	232.170140	147.5
[M+HCOO]-	294.171081	175.9
[M+CH3COO]-	308.186731	199.6
[M+Na-2H]-	270.147546	157.4
[M]+	249.17233142	157.4
[M]-	249.17342858	157.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe