CID 16226723

3-[(oxolan-2-yl)methoxy]propan-1-amine

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

C1CC(OC1)COCCCN

InChI

InChI=1S/C8H17NO2/c9-4-2-5-10-7-8-3-1-6-11-8/h8H,1-7,9H2

InChIKey

ZHIAVIDSLPGDOZ-UHFFFAOYSA-N

Compound name

3-(oxolan-2-ylmethoxy)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 159.12593 Da
Monoisotopic Mass: -0.1
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]+	160.13321	136.0
[M+Na]+	182.11515	140.7
[M-H]-	158.11865	138.7
[M+NH4]+	177.15975	156.5
[M+K]+	198.08909	141.1
[M+H-H2O]+	142.12319	130.1
[M+HCOO]-	204.12413	158.5
[M+CH3COO]-	218.13978	177.2
[M+Na-2H]-	180.10060	140.7
[M]+	159.12538	135.0
[M]-	159.12648	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe