CID 14555601

4-(morpholin-4-yl)butan-2-ol

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

CC(CCN1CCOCC1)O

InChI

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

InChIKey

RHBZAIRQNOBTNS-UHFFFAOYSA-N

Compound name

4-morpholin-4-ylbutan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
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]+	160.133206	137.1
[M+Na]+	182.115148	141.1
[M-H]-	158.118654	137.4
[M+NH4]+	177.159753	154.3
[M+K]+	198.089088	141.6
[M+H-H2O]+	142.123190	130.6
[M+HCOO]-	204.124131	153.3
[M+CH3COO]-	218.139781	174.2
[M+Na-2H]-	180.100596	141.9
[M]+	159.12538142	133.8
[M]-	159.12647858	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe