CID 58870319

Spiro[4.5]decane-8-carbaldehyde

Structural Information

Molecular Formula
C11H18O
SMILES
C1CCC2(C1)CCC(CC2)C=O
InChI
InChI=1S/C11H18O/c12-9-10-3-7-11(8-4-10)5-1-2-6-11/h9-10H,1-8H2
InChIKey
SKGYULICBCFMKF-UHFFFAOYSA-N
Compound name
spiro[4.5]decane-8-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

166.13577 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.14305 139.9
[M+Na]+ 189.12499 144.5
[M-H]- 165.12849 144.4
[M+NH4]+ 184.16959 164.0
[M+K]+ 205.09893 142.3
[M+H-H2O]+ 149.13303 134.4
[M+HCOO]- 211.13397 159.1
[M+CH3COO]- 225.14962 175.9
[M+Na-2H]- 187.11044 143.4
[M]+ 166.13522 133.1
[M]- 166.13632 133.1
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