CID 131583353

3-oxaspiro[5.5]undecane-9-carbaldehyde

Structural Information

Molecular Formula
C11H18O2
SMILES
C1CC2(CCC1C=O)CCOCC2
InChI
InChI=1S/C11H18O2/c12-9-10-1-3-11(4-2-10)5-7-13-8-6-11/h9-10H,1-8H2
InChIKey
PYFXPRXRDQWABB-UHFFFAOYSA-N
Compound name
3-oxaspiro[5.5]undecane-9-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.13068 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.137956 141.0
[M+Na]+ 205.119898 144.7
[M-H]- 181.123404 145.9
[M+NH4]+ 200.164503 161.3
[M+K]+ 221.093838 144.3
[M+H-H2O]+ 165.127940 135.0
[M+HCOO]- 227.128881 157.4
[M+CH3COO]- 241.144531 178.2
[M+Na-2H]- 203.105346 147.2
[M]+ 182.13013142 134.2
[M]- 182.13122858 134.2
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

No patent data available for this compound.