CID 20069828

3-morpholin-4-ylbutan-1-ol

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

CC(CCO)N1CCOCC1

InChI

InChI=1S/C8H17NO2/c1-8(2-5-10)9-3-6-11-7-4-9/h8,10H,2-7H2,1H3

InChIKey

SKNVZWRSIWZAAB-UHFFFAOYSA-N

Compound name

3-morpholin-4-ylbutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 159.12593 Da
Monoisotopic Mass: 0.0
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	136.5
[M+Na]+	182.11515	146.2
[M+NH4]+	177.15975	144.1
[M+K]+	198.08909	141.6
[M-H]-	158.11865	138.1
[M+Na-2H]-	180.10060	139.9
[M]+	159.12538	138.0
[M]-	159.12648	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe