CID 106752

Einecs 266-842-8

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 143.4
[M+Na]+ 203.14063 147.0
[M-H]- 179.14413 140.0
[M+NH4]+ 198.18523 168.0
[M+K]+ 219.11457 144.8
[M+H-H2O]+ 163.14867 139.3
[M+HCOO]- 225.14961 153.7
[M+CH3COO]- 239.16526 189.9
[M+Na-2H]- 201.12608 151.1
[M]+ 180.15086 143.8
[M]- 180.15196 143.8
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.