CID 12259570

4-(morpholin-4-yl)but-2-yn-1-amine

Structural Information

Molecular Formula

C₈H₁₄N₂O

SMILES

C1COCCN1CC#CCN

InChI

InChI=1S/C8H14N2O/c9-3-1-2-4-10-5-7-11-8-6-10/h3-9H2

InChIKey

JOWSVDKIKMAKOH-UHFFFAOYSA-N

Compound name

4-morpholin-4-ylbut-2-yn-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 154.11061 Da
Monoisotopic Mass: -1.0
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]+	155.117886	130.9
[M+Na]+	177.099828	137.8
[M-H]-	153.103334	130.7
[M+NH4]+	172.144433	146.5
[M+K]+	193.073768	136.0
[M+H-H2O]+	137.107870	118.0
[M+HCOO]-	199.108811	144.6
[M+CH3COO]-	213.124461	183.9
[M+Na-2H]-	175.085276	136.3
[M]+	154.11006142	121.3
[M]-	154.11115858	121.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe