CID 106752

67662-97-9

Structural Information

Molecular Formula
C12H20O
SMILES
CC(C)C1CC2CCC1C(C2)C=O
InChI
InChI=1S/C12H20O/c1-8(2)12-6-9-3-4-11(12)10(5-9)7-13/h7-12H,3-6H2,1-2H3
InChIKey
HKKOMSBKTRIPJO-UHFFFAOYSA-N
Compound name
6-propan-2-ylbicyclo[2.2.2]octane-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.15141 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.15869 138.1
[M+Na]+ 203.14063 148.1
[M+NH4]+ 198.18523 149.3
[M+K]+ 219.11457 140.9
[M-H]- 179.14413 136.9
[M+Na-2H]- 201.12608 136.1
[M]+ 180.15086 139.1
[M]- 180.15196 139.1
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

No patent data available for this compound.