CID 68740094

1-oxaspiro[5.5]undecan-9-one

Structural Information

Molecular Formula
C10H16O2
SMILES
C1CCOC2(C1)CCC(=O)CC2
InChI
InChI=1S/C10H16O2/c11-9-3-6-10(7-4-9)5-1-2-8-12-10/h1-8H2
InChIKey
VXIVATBWBJCTFQ-UHFFFAOYSA-N
Compound name
1-oxaspiro[5.5]undecan-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

168.11504 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 136.5
[M+Na]+ 191.10426 140.5
[M-H]- 167.10776 141.6
[M+NH4]+ 186.14886 157.3
[M+K]+ 207.07820 140.4
[M+H-H2O]+ 151.11230 130.6
[M+HCOO]- 213.11324 153.2
[M+CH3COO]- 227.12889 175.2
[M+Na-2H]- 189.08971 143.2
[M]+ 168.11449 129.3
[M]- 168.11559 129.3
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