CID 58525394

Spiro[5.5]undecane-3-carbaldehyde

Structural Information

Molecular Formula
C12H20O
SMILES
C1CCC2(CC1)CCC(CC2)C=O
InChI
InChI=1S/C12H20O/c13-10-11-4-8-12(9-5-11)6-2-1-3-7-12/h10-11H,1-9H2
InChIKey
IMXNDGKDOMFUFR-UHFFFAOYSA-N
Compound name
spiro[5.5]undecane-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

180.15141 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.15869 143.3
[M+Na]+ 203.14063 146.4
[M-H]- 179.14413 147.4
[M+NH4]+ 198.18523 164.9
[M+K]+ 219.11457 144.2
[M+H-H2O]+ 163.14867 137.1
[M+HCOO]- 225.14961 160.0
[M+CH3COO]- 239.16526 179.3
[M+Na-2H]- 201.12608 147.8
[M]+ 180.15086 134.7
[M]- 180.15196 134.7
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