CID 13033439

Methyl 3-cyclopentylpropanoate

Structural Information

Molecular Formula
C9H16O2
SMILES
COC(=O)CCC1CCCC1
InChI
InChI=1S/C9H16O2/c1-11-9(10)7-6-8-4-2-3-5-8/h8H,2-7H2,1H3
InChIKey
FGPDDJMBTHHHRK-UHFFFAOYSA-N
Compound name
methyl 3-cyclopentylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
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

No literature data available for this compound.

Patent stripe

patents stripe