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]+ 183.13796 141.0
[M+Na]+ 205.11990 144.7
[M-H]- 181.12340 145.9
[M+NH4]+ 200.16450 161.3
[M+K]+ 221.09384 144.3
[M+H-H2O]+ 165.12794 135.0
[M+HCOO]- 227.12888 157.4
[M+CH3COO]- 241.14453 178.2
[M+Na-2H]- 203.10535 147.2
[M]+ 182.13013 134.2
[M]- 182.13123 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.