CID 3047502

Sl-d.311

Structural Information

Molecular Formula

C₁₈H₂₉NO₃

SMILES

CC(C)NCC(COC1=CC=C(C=C1)OCCCC2CC2)O

InChI

InChI=1S/C18H29NO3/c1-14(2)19-12-16(20)13-22-18-9-7-17(8-10-18)21-11-3-4-15-5-6-15/h7-10,14-16,19-20H,3-6,11-13H2,1-2H3

InChIKey

GYJXNKHOFIHFEE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 307.21475 Da
Monoisotopic Mass: 3.5
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]+	308.222026	170.6
[M+Na]+	330.203968	175.1
[M-H]-	306.207474	175.6
[M+NH4]+	325.248573	179.8
[M+K]+	346.177908	171.4
[M+H-H2O]+	290.212010	162.8
[M+HCOO]-	352.212951	191.1
[M+CH3COO]-	366.228601	210.1
[M+Na-2H]-	328.189416	171.9
[M]+	307.21420142	175.8
[M]-	307.21529858	175.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe