CID 130772824

1851143-13-9

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

C#CCCN1CCOCC2(C1)CC2

InChI

InChI=1S/C11H17NO/c1-2-3-6-12-7-8-13-10-11(9-12)4-5-11/h1H,3-10H2

InChIKey

TYFMMNHPDYUHBD-UHFFFAOYSA-N

Compound name

8-but-3-ynyl-5-oxa-8-azaspiro[2.6]nonane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 179.13101 Da
Monoisotopic Mass: 1.1
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]+	180.13829	128.2
[M+Na]+	202.12023	139.9
[M-H]-	178.12373	134.1
[M+NH4]+	197.16483	141.9
[M+K]+	218.09417	137.6
[M+H-H2O]+	162.12827	118.6
[M+HCOO]-	224.12921	142.2
[M+CH3COO]-	238.14486	140.1
[M+Na-2H]-	200.10568	136.1
[M]+	179.13046	122.8
[M]-	179.13156	122.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.