CID 329051

4-(2-ethyl-1-butenyl)-morpholine

Structural Information

Molecular Formula

C₁₀H₁₉NO

SMILES

CCC(=CN1CCOCC1)CC

InChI

InChI=1S/C10H19NO/c1-3-10(4-2)9-11-5-7-12-8-6-11/h9H,3-8H2,1-2H3

InChIKey

XAAWNHUYVLXFRW-UHFFFAOYSA-N

Compound name

4-(2-ethylbut-1-enyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 169.14667 Da
Monoisotopic Mass: 2.3
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]+	170.153946	141.4
[M+Na]+	192.135888	145.4
[M-H]-	168.139394	142.9
[M+NH4]+	187.180493	158.9
[M+K]+	208.109828	145.2
[M+H-H2O]+	152.143930	134.6
[M+HCOO]-	214.144871	158.4
[M+CH3COO]-	228.160521	179.4
[M+Na-2H]-	190.121336	145.7
[M]+	169.14612142	138.4
[M]-	169.14721858	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe