CID 20069556

776329-10-3

Structural Information

Molecular Formula

C₈H₁₈N₂O

SMILES

CC(CCN)N1CCOCC1

InChI

InChI=1S/C8H18N2O/c1-8(2-3-9)10-4-6-11-7-5-10/h8H,2-7,9H2,1H3

InChIKey

PJRDKXUODLOYBV-UHFFFAOYSA-N

Compound name

3-morpholin-4-ylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 158.1419 Da
Monoisotopic Mass: -0.3
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]+	159.149176	138.3
[M+Na]+	181.131118	141.9
[M-H]-	157.134624	139.5
[M+NH4]+	176.175723	155.6
[M+K]+	197.105058	142.3
[M+H-H2O]+	141.139160	131.3
[M+HCOO]-	203.140101	156.2
[M+CH3COO]-	217.155751	179.0
[M+Na-2H]-	179.116566	142.8
[M]+	158.14135142	133.6
[M]-	158.14244858	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe