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]+ 129.10224 123.3
[M+Na]+ 151.08418 127.3
[M-H]- 127.08768 123.3
[M+NH4]+ 146.12878 135.5
[M+K]+ 167.05812 129.4
[M+H-H2O]+ 111.09222 112.2
[M+HCOO]- 173.09316 136.8
[M+CH3COO]- 187.10881 166.5
[M+Na-2H]- 149.06963 132.0
[M]+ 128.09441 123.9
[M]- 128.09551 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