CID 22677785

1-amino-5-phenylpentan-3-ol

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

C1=CC=C(C=C1)CCC(CCN)O

InChI

InChI=1S/C11H17NO/c12-9-8-11(13)7-6-10-4-2-1-3-5-10/h1-5,11,13H,6-9,12H2

InChIKey

MQRVXBDFCCKLST-UHFFFAOYSA-N

Compound name

1-amino-5-phenylpentan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 179.13101 Da
Monoisotopic Mass: 1.3
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]+	180.13829	141.6
[M+Na]+	202.12023	152.2
[M+NH4]+	197.16483	149.8
[M+K]+	218.09417	145.9
[M-H]-	178.12373	143.7
[M+Na-2H]-	200.10568	147.6
[M]+	179.13046	143.5
[M]-	179.13156	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe