CID 12578362

Bicyclo[2.2.2]octane-2-carbaldehyde

Structural Information

Molecular Formula
C9H14O
SMILES
C1CC2CCC1CC2C=O
InChI
InChI=1S/C9H14O/c10-6-9-5-7-1-3-8(9)4-2-7/h6-9H,1-5H2
InChIKey
MQAXUXIWTPOYTD-UHFFFAOYSA-N
Compound name
bicyclo[2.2.2]octane-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

138.10446 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.11174 127.9
[M+Na]+ 161.09368 132.3
[M-H]- 137.09718 124.8
[M+NH4]+ 156.13828 154.0
[M+K]+ 177.06762 130.3
[M+H-H2O]+ 121.10172 123.9
[M+HCOO]- 183.10266 140.5
[M+CH3COO]- 197.11831 139.4
[M+Na-2H]- 159.07913 139.2
[M]+ 138.10391 127.7
[M]- 138.10501 127.7
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