CID 121553409

3-(ethoxycarbonyl)-1-methylcyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C10H16O4
SMILES
CCOC(=O)C1CCC(C1)(C)C(=O)O
InChI
InChI=1S/C10H16O4/c1-3-14-8(11)7-4-5-10(2,6-7)9(12)13/h7H,3-6H2,1-2H3,(H,12,13)
InChIKey
ROSIFZHEMNPRSU-UHFFFAOYSA-N
Compound name
3-ethoxycarbonyl-1-methylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 144.2
[M+Na]+ 223.09408 150.4
[M-H]- 199.09758 146.2
[M+NH4]+ 218.13868 166.3
[M+K]+ 239.06802 149.9
[M+H-H2O]+ 183.10212 140.3
[M+HCOO]- 245.10306 164.0
[M+CH3COO]- 259.11871 180.7
[M+Na-2H]- 221.07953 145.6
[M]+ 200.10431 144.2
[M]- 200.10541 144.2
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

No patent data available for this compound.