CID 202155

Sas 510

Structural Information

Molecular Formula

C₁₄H₂₃NO₃

SMILES

COCCCCNCC(COC1=CC=CC=C1)O

InChI

InChI=1S/C14H23NO3/c1-17-10-6-5-9-15-11-13(16)12-18-14-7-3-2-4-8-14/h2-4,7-8,13,15-16H,5-6,9-12H2,1H3

InChIKey

TZJIAKXCGFUZCC-UHFFFAOYSA-N

Compound name

1-(4-methoxybutylamino)-3-phenoxypropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 253.1678 Da
Monoisotopic Mass: 1.5
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]+	254.175076	160.9
[M+Na]+	276.157018	164.4
[M-H]-	252.160524	162.0
[M+NH4]+	271.201623	176.6
[M+K]+	292.130958	162.3
[M+H-H2O]+	236.165060	153.5
[M+HCOO]-	298.166001	183.0
[M+CH3COO]-	312.181651	195.6
[M+Na-2H]-	274.142466	165.0
[M]+	253.16725142	163.6
[M]-	253.16834858	163.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe