CID 247667

Ethyl cyclopentylacetate

Structural Information

Molecular Formula
C9H16O2
SMILES
CCOC(=O)CC1CCCC1
InChI
InChI=1S/C9H16O2/c1-2-11-9(10)7-8-5-3-4-6-8/h8H,2-7H2,1H3
InChIKey
DBSADESEDBCPFO-UHFFFAOYSA-N
Compound name
ethyl 2-cyclopentylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

205
Patents

156.11504 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 136.7
[M+Na]+ 179.10426 142.0
[M-H]- 155.10776 139.5
[M+NH4]+ 174.14886 159.2
[M+K]+ 195.07820 141.6
[M+H-H2O]+ 139.11230 131.3
[M+HCOO]- 201.11324 158.7
[M+CH3COO]- 215.12889 175.5
[M+Na-2H]- 177.08971 139.3
[M]+ 156.11449 135.8
[M]- 156.11559 135.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe