CID 64221628

2-oxa-8-azaspiro[5.5]undecane

Structural Information

Molecular Formula
C9H17NO
SMILES
C1CC2(CCCOC2)CNC1
InChI
InChI=1S/C9H17NO/c1-3-9(7-10-5-1)4-2-6-11-8-9/h10H,1-8H2
InChIKey
YXDVRIQBOMUBEQ-UHFFFAOYSA-N
Compound name
2-oxa-8-azaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

155.13101 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 135.7
[M+Na]+ 178.12023 138.5
[M-H]- 154.12373 137.6
[M+NH4]+ 173.16483 154.8
[M+K]+ 194.09417 137.8
[M+H-H2O]+ 138.12827 128.9
[M+HCOO]- 200.12921 149.5
[M+CH3COO]- 214.14486 146.4
[M+Na-2H]- 176.10568 142.9
[M]+ 155.13046 125.7
[M]- 155.13156 125.7
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