CID 79921616

5-oxaspiro[3.5]nonane-8-carbaldehyde

Structural Information

Molecular Formula
C9H14O2
SMILES
C1CC2(C1)CC(CCO2)C=O
InChI
InChI=1S/C9H14O2/c10-7-8-2-5-11-9(6-8)3-1-4-9/h7-8H,1-6H2
InChIKey
WYLCESJBSCIHOZ-UHFFFAOYSA-N
Compound name
5-oxaspiro[3.5]nonane-8-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.09938 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 125.2
[M+Na]+ 177.08860 130.0
[M-H]- 153.09210 131.1
[M+NH4]+ 172.13320 140.7
[M+K]+ 193.06254 133.2
[M+H-H2O]+ 137.09664 115.9
[M+HCOO]- 199.09758 143.7
[M+CH3COO]- 213.11323 177.2
[M+Na-2H]- 175.07405 133.3
[M]+ 154.09883 130.6
[M]- 154.09993 130.6
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.