CID 65940583

2-[4-(aminomethyl)oxan-4-yl]ethan-1-ol

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

C1COCCC1(CCO)CN

InChI

InChI=1S/C8H17NO2/c9-7-8(1-4-10)2-5-11-6-3-8/h10H,1-7,9H2

InChIKey

AIXNSIJOUCYAHY-UHFFFAOYSA-N

Compound name

2-[4-(aminomethyl)oxan-4-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 159.12593 Da
Monoisotopic Mass: -0.6
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	140.4
[M-H]-	158.11865	137.6
[M+NH4]+	177.15975	156.0
[M+K]+	198.08909	140.2
[M+H-H2O]+	142.12319	131.0
[M+HCOO]-	204.12413	154.9
[M+CH3COO]-	218.13978	174.5
[M+Na-2H]-	180.10060	142.6
[M]+	159.12538	131.4
[M]-	159.12648	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe