CID 131230429

2-cyclopentyl-2-ethoxyacetaldehyde

Structural Information

Molecular Formula
C9H16O2
SMILES
CCOC(C=O)C1CCCC1
InChI
InChI=1S/C9H16O2/c1-2-11-9(7-10)8-5-3-4-6-8/h7-9H,2-6H2,1H3
InChIKey
YICTXCURXAXWBB-UHFFFAOYSA-N
Compound name
2-cyclopentyl-2-ethoxyacetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.11504 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 136.5
[M+Na]+ 179.10426 141.7
[M-H]- 155.10776 139.2
[M+NH4]+ 174.14886 158.9
[M+K]+ 195.07820 141.3
[M+H-H2O]+ 139.11230 131.1
[M+HCOO]- 201.11324 158.4
[M+CH3COO]- 215.12889 176.2
[M+Na-2H]- 177.08971 139.1
[M]+ 156.11449 135.7
[M]- 156.11559 135.7
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.