CID 11159709

Ethyl 3-cyclopentyl-3-oxopropanoate

Structural Information

Molecular Formula
C10H16O3
SMILES
CCOC(=O)CC(=O)C1CCCC1
InChI
InChI=1S/C10H16O3/c1-2-13-10(12)7-9(11)8-5-3-4-6-8/h8H,2-7H2,1H3
InChIKey
MUDKQMLLCRJCEY-UHFFFAOYSA-N
Compound name
ethyl 3-cyclopentyl-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

180
Patents

184.10994 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11722 143.3
[M+Na]+ 207.09916 148.1
[M-H]- 183.10266 146.0
[M+NH4]+ 202.14376 164.4
[M+K]+ 223.07310 147.8
[M+H-H2O]+ 167.10720 137.7
[M+HCOO]- 229.10814 164.3
[M+CH3COO]- 243.12379 180.5
[M+Na-2H]- 205.08461 144.1
[M]+ 184.10939 142.8
[M]- 184.11049 142.8
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