CID 165759053

2757961-36-5

Structural Information

Molecular Formula
C9H14O2
SMILES
C1[C@@H]2CC(C[C@H]1COC2)C=O
InChI
InChI=1S/C9H14O2/c10-4-7-1-8-3-9(2-7)6-11-5-8/h4,7-9H,1-3,5-6H2/t7?,8-,9+
InChIKey
IIJZNASJBXAGKF-CBLAIPOGSA-N
Compound name
(1R,5S)-3-oxabicyclo[3.3.1]nonane-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.09938 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 131.7
[M+Na]+ 177.08860 142.9
[M+NH4]+ 172.13320 141.6
[M+K]+ 193.06254 136.5
[M-H]- 153.09210 134.7
[M+Na-2H]- 175.07405 134.8
[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.