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]+ 157.122316 136.5
[M+Na]+ 179.104258 141.7
[M-H]- 155.107764 139.2
[M+NH4]+ 174.148863 158.9
[M+K]+ 195.078198 141.3
[M+H-H2O]+ 139.112300 131.1
[M+HCOO]- 201.113241 158.4
[M+CH3COO]- 215.128891 176.2
[M+Na-2H]- 177.089706 139.1
[M]+ 156.11449142 135.7
[M]- 156.11558858 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.