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

33
Patents

138.10446 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.111736 127.9
[M+Na]+ 161.093678 132.3
[M-H]- 137.097184 124.8
[M+NH4]+ 156.138283 154.0
[M+K]+ 177.067618 130.3
[M+H-H2O]+ 121.101720 123.9
[M+HCOO]- 183.102661 140.5
[M+CH3COO]- 197.118311 139.4
[M+Na-2H]- 159.079126 139.2
[M]+ 138.10391142 127.7
[M]- 138.10500858 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