CID 74788211

2-oxa-5,8-diazaspiro[3.5]nonane

Structural Information

Molecular Formula
C6H12N2O
SMILES
C1CNC2(CN1)COC2
InChI
InChI=1S/C6H12N2O/c1-2-8-6(3-7-1)4-9-5-6/h7-8H,1-5H2
InChIKey
SDYCEPNUOZPFMG-UHFFFAOYSA-N
Compound name
2-oxa-5,8-diazaspiro[3.5]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

128.09496 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.102236 123.3
[M+Na]+ 151.084178 127.3
[M-H]- 127.087684 123.3
[M+NH4]+ 146.128783 135.5
[M+K]+ 167.058118 129.4
[M+H-H2O]+ 111.092220 112.2
[M+HCOO]- 173.093161 136.8
[M+CH3COO]- 187.108811 166.5
[M+Na-2H]- 149.069626 132.0
[M]+ 128.09441142 123.9
[M]- 128.09550858 123.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe