CID 43531416

2361636-36-2

Structural Information

Molecular Formula

C₆H₁₅NO₂

SMILES

C(CN)COCCCO

InChI

InChI=1S/C6H15NO2/c7-3-1-5-9-6-2-4-8/h8H,1-7H2

InChIKey

ZHEZZDWAXWFREJ-UHFFFAOYSA-N

Compound name

3-(3-aminopropoxy)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 79
Patents: 133.11028 Da
Monoisotopic Mass: -0.8
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]+	134.11756	128.2
[M+Na]+	156.09950	136.6
[M+NH4]+	151.14410	135.4
[M+K]+	172.07344	131.7
[M-H]-	132.10300	127.3
[M+Na-2H]-	154.08495	131.0
[M]+	133.10973	128.7
[M]-	133.11083	128.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe