CID 53249792

4-hydroxybicyclo[2.2.2]octane-1-carbaldehyde

Structural Information

Molecular Formula
C9H14O2
SMILES
C1CC2(CCC1(CC2)C=O)O
InChI
InChI=1S/C9H14O2/c10-7-8-1-4-9(11,5-2-8)6-3-8/h7,11H,1-6H2
InChIKey
FHELOQCALDEPNY-UHFFFAOYSA-N
Compound name
4-hydroxybicyclo[2.2.2]octane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

154.09938 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 135.1
[M+Na]+ 177.08860 140.6
[M-H]- 153.09210 131.0
[M+NH4]+ 172.13320 163.6
[M+K]+ 193.06254 137.9
[M+H-H2O]+ 137.09664 131.1
[M+HCOO]- 199.09758 146.2
[M+CH3COO]- 213.11323 146.2
[M+Na-2H]- 175.07405 148.4
[M]+ 154.09883 135.1
[M]- 154.09993 135.1
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

patents stripe