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
(1S,5R)-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 130.2
[M+Na]+ 177.08860 135.5
[M-H]- 153.09210 133.0
[M+NH4]+ 172.13320 151.5
[M+K]+ 193.06254 135.2
[M+H-H2O]+ 137.09664 125.1
[M+HCOO]- 199.09758 147.0
[M+CH3COO]- 213.11323 176.1
[M+Na-2H]- 175.07405 138.0
[M]+ 154.09883 126.9
[M]- 154.09993 126.9
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.