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]+ 201.112136 144.2
[M+Na]+ 223.094078 150.4
[M-H]- 199.097584 146.2
[M+NH4]+ 218.138683 166.3
[M+K]+ 239.068018 149.9
[M+H-H2O]+ 183.102120 140.3
[M+HCOO]- 245.103061 164.0
[M+CH3COO]- 259.118711 180.7
[M+Na-2H]- 221.079526 145.6
[M]+ 200.10431142 144.2
[M]- 200.10540858 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.