CID 50987517

3-(morpholin-4-yl)butan-2-amine

Structural Information

Molecular Formula

C₈H₁₈N₂O

SMILES

CC(C(C)N1CCOCC1)N

InChI

InChI=1S/C8H18N2O/c1-7(9)8(2)10-3-5-11-6-4-10/h7-8H,3-6,9H2,1-2H3

InChIKey

GUSHEMUDDUPEBZ-UHFFFAOYSA-N

Compound name

3-morpholin-4-ylbutan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 158.1419 Da
Monoisotopic Mass: -0.2
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]+	159.14918	138.8
[M+Na]+	181.13112	142.2
[M-H]-	157.13462	140.1
[M+NH4]+	176.17572	156.1
[M+K]+	197.10506	143.1
[M+H-H2O]+	141.13916	131.9
[M+HCOO]-	203.14010	155.7
[M+CH3COO]-	217.15575	179.9
[M+Na-2H]-	179.11657	142.1
[M]+	158.14135	133.5
[M]-	158.14245	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe