CID 155822522

2-{spiro[2.5]octan-4-yl}acetaldehyde

Structural Information

Molecular Formula
C10H16O
SMILES
C1CCC2(CC2)C(C1)CC=O
InChI
InChI=1S/C10H16O/c11-8-4-9-3-1-2-5-10(9)6-7-10/h8-9H,1-7H2
InChIKey
LWXPXJAWQBBCRJ-UHFFFAOYSA-N
Compound name
2-spiro[2.5]octan-8-ylacetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.12012 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 136.0
[M+Na]+ 175.10934 143.6
[M-H]- 151.11284 142.1
[M+NH4]+ 170.15394 154.4
[M+K]+ 191.08328 142.1
[M+H-H2O]+ 135.11738 130.6
[M+HCOO]- 197.11832 156.3
[M+CH3COO]- 211.13397 178.7
[M+Na-2H]- 173.09479 142.5
[M]+ 152.11957 135.0
[M]- 152.12067 135.0
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.