CID 84648510

5-oxaspiro[2.5]octane-1-carbaldehyde

Structural Information

Molecular Formula
C8H12O2
SMILES
C1CC2(CC2C=O)COC1
InChI
InChI=1S/C8H12O2/c9-5-7-4-8(7)2-1-3-10-6-8/h5,7H,1-4,6H2
InChIKey
ITZWZKPEAUCSCB-UHFFFAOYSA-N
Compound name
5-oxaspiro[2.5]octane-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.08372 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 130.4
[M+Na]+ 163.07294 138.8
[M-H]- 139.07644 137.5
[M+NH4]+ 158.11754 148.0
[M+K]+ 179.04688 139.4
[M+H-H2O]+ 123.08098 125.0
[M+HCOO]- 185.08192 150.4
[M+CH3COO]- 199.09757 174.7
[M+Na-2H]- 161.05839 139.0
[M]+ 140.08317 130.8
[M]- 140.08427 130.8
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.