CID 46840058

2,5-dioxa-8-azaspiro[3.5]nonane

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

C1COC2(CN1)COC2

InChI

InChI=1S/C6H11NO2/c1-2-9-6(3-7-1)4-8-5-6/h7H,1-5H2

InChIKey

IOSOHRRBMBVUNY-UHFFFAOYSA-N

Compound name

2,5-dioxa-8-azaspiro[3.5]nonane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 129.07898 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]+	130.086256	117.4
[M+Na]+	152.068198	121.7
[M-H]-	128.071704	121.0
[M+NH4]+	147.112803	130.3
[M+K]+	168.042138	126.3
[M+H-H2O]+	112.076240	107.3
[M+HCOO]-	174.077181	133.0
[M+CH3COO]-	188.092831	168.4
[M+Na-2H]-	150.053646	127.9
[M]+	129.07843142	121.3
[M]-	129.07952858	121.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe