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]+ 155.10666 131.8
[M+Na]+ 177.08860 137.7
[M-H]- 153.09210 129.7
[M+NH4]+ 172.13320 159.7
[M+K]+ 193.06254 137.0
[M+H-H2O]+ 137.09664 127.3
[M+HCOO]- 199.09758 143.6
[M+CH3COO]- 213.11323 143.8
[M+Na-2H]- 175.07405 146.4
[M]+ 154.09883 134.0
[M]- 154.09993 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.