CID 57742272

1796557-11-3

Structural Information

Molecular Formula

C₈H₁₄N₂O

SMILES

CC1=NOC2(C1)CCNCC2

InChI

InChI=1S/C8H14N2O/c1-7-6-8(11-10-7)2-4-9-5-3-8/h9H,2-6H2,1H3

InChIKey

VOYCOHMYNPPTCF-UHFFFAOYSA-N

Compound name

3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 154.11061 Da
Monoisotopic Mass: 0.1
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]+	155.117886	133.2
[M+Na]+	177.099828	139.5
[M-H]-	153.103334	134.8
[M+NH4]+	172.144433	153.3
[M+K]+	193.073768	138.5
[M+H-H2O]+	137.107870	126.3
[M+HCOO]-	199.108811	149.7
[M+CH3COO]-	213.124461	145.3
[M+Na-2H]-	175.085276	139.5
[M]+	154.11006142	127.3
[M]-	154.11115858	127.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe