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: 5
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]+	254.17508	160.9
[M+Na]+	276.15702	164.4
[M-H]-	252.16052	162.0
[M+NH4]+	271.20162	176.6
[M+K]+	292.13096	162.3
[M+H-H2O]+	236.16506	153.5
[M+HCOO]-	298.16600	183.0
[M+CH3COO]-	312.18165	195.6
[M+Na-2H]-	274.14247	165.0
[M]+	253.16725	163.6
[M]-	253.16835	163.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe