CID 10953950

Ethyl 2-cyclopentyl-2-oxoacetate

Structural Information

Molecular Formula
C9H14O3
SMILES
CCOC(=O)C(=O)C1CCCC1
InChI
InChI=1S/C9H14O3/c1-2-12-9(11)8(10)7-5-3-4-6-7/h7H,2-6H2,1H3
InChIKey
WOJWUNMAGJRHCD-UHFFFAOYSA-N
Compound name
ethyl 2-cyclopentyl-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

170.0943 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.101576 138.5
[M+Na]+ 193.083518 143.8
[M-H]- 169.087024 141.4
[M+NH4]+ 188.128123 160.3
[M+K]+ 209.057458 143.8
[M+H-H2O]+ 153.091560 133.2
[M+HCOO]- 215.092501 159.9
[M+CH3COO]- 229.108151 177.5
[M+Na-2H]- 191.068966 140.0
[M]+ 170.09375142 137.8
[M]- 170.09484858 137.8
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