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

38
Patents

186.0892 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.09648 141.1
[M+Na]+ 209.07842 146.8
[M-H]- 185.08192 142.9
[M+NH4]+ 204.12302 163.5
[M+K]+ 225.05236 146.5
[M+H-H2O]+ 169.08646 137.0
[M+HCOO]- 231.08740 161.2
[M+CH3COO]- 245.10305 176.5
[M+Na-2H]- 207.06387 143.5
[M]+ 186.08865 140.3
[M]- 186.08975 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