CID 154814374

2-{spiro[2.4]heptan-4-yl}acetaldehyde

Structural Information

Molecular Formula
C9H14O
SMILES
C1CC(C2(C1)CC2)CC=O
InChI
InChI=1S/C9H14O/c10-7-3-8-2-1-4-9(8)5-6-9/h7-8H,1-6H2
InChIKey
OIBBROGPWCPJBJ-UHFFFAOYSA-N
Compound name
2-spiro[2.4]heptan-7-ylacetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.10446 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.11174 133.5
[M+Na]+ 161.09368 145.2
[M+NH4]+ 156.13828 144.9
[M+K]+ 177.06762 139.9
[M-H]- 137.09718 142.7
[M+Na-2H]- 159.07913 142.4
[M]+ 138.10391 138.9
[M]- 138.10501 138.9
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.