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]+ 139.111736 131.2
[M+Na]+ 161.093678 140.1
[M-H]- 137.097184 137.6
[M+NH4]+ 156.138283 151.8
[M+K]+ 177.067618 138.3
[M+H-H2O]+ 121.101720 126.4
[M+HCOO]- 183.102661 153.6
[M+CH3COO]- 197.118311 175.6
[M+Na-2H]- 159.079126 137.1
[M]+ 138.10391142 131.9
[M]- 138.10500858 131.9
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.