CID 153456396

4-methyl-2-oxabicyclo[2.2.2]octane-1-carbaldehyde

Structural Information

Molecular Formula
C9H14O2
SMILES
CC12CCC(CC1)(OC2)C=O
InChI
InChI=1S/C9H14O2/c1-8-2-4-9(6-10,5-3-8)11-7-8/h6H,2-5,7H2,1H3
InChIKey
NNLNXJSOQSWFOZ-UHFFFAOYSA-N
Compound name
4-methyl-2-oxabicyclo[2.2.2]octane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.09938 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.106656 131.8
[M+Na]+ 177.088598 137.7
[M-H]- 153.092104 129.7
[M+NH4]+ 172.133203 159.7
[M+K]+ 193.062538 137.0
[M+H-H2O]+ 137.096640 127.3
[M+HCOO]- 199.097581 143.6
[M+CH3COO]- 213.113231 143.8
[M+Na-2H]- 175.074046 146.4
[M]+ 154.09883142 134.0
[M]- 154.09992858 134.0
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.