CID 121455774

3-(2-ethoxy-2-oxoethyl)cyclopentanecarboxylic acid

Structural Information

Molecular Formula
C10H16O4
SMILES
CCOC(=O)CC1CCC(C1)C(=O)O
InChI
InChI=1S/C10H16O4/c1-2-14-9(11)6-7-3-4-8(5-7)10(12)13/h7-8H,2-6H2,1H3,(H,12,13)
InChIKey
NUYMOZXSGOURIZ-UHFFFAOYSA-N
Compound name
3-(2-ethoxy-2-oxoethyl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

200.10486 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11214 145.5
[M+Na]+ 223.09408 150.7
[M-H]- 199.09758 147.1
[M+NH4]+ 218.13868 165.5
[M+K]+ 239.06802 150.1
[M+H-H2O]+ 183.10212 140.3
[M+HCOO]- 245.10306 165.2
[M+CH3COO]- 259.11871 181.1
[M+Na-2H]- 221.07953 145.4
[M]+ 200.10431 145.0
[M]- 200.10541 145.0
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