CID 54313238

1-(ethoxycarbonyl)cyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C9H14O4
SMILES
CCOC(=O)C1(CCCC1)C(=O)O
InChI
InChI=1S/C9H14O4/c1-2-13-8(12)9(7(10)11)5-3-4-6-9/h2-6H2,1H3,(H,10,11)
InChIKey
SMIYHPHDBDKZTR-UHFFFAOYSA-N
Compound name
1-ethoxycarbonylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

186.0892 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.096476 141.1
[M+Na]+ 209.078418 146.8
[M-H]- 185.081924 142.9
[M+NH4]+ 204.123023 163.5
[M+K]+ 225.052358 146.5
[M+H-H2O]+ 169.086460 137.0
[M+HCOO]- 231.087401 161.2
[M+CH3COO]- 245.103051 176.5
[M+Na-2H]- 207.063866 143.5
[M]+ 186.08865142 140.3
[M]- 186.08974858 140.3
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