CID 138039401

2116201-81-9

Structural Information

Molecular Formula
C11H16O4
SMILES
CCOC(=O)C1(CC2(C1)CCC2)C(=O)O
InChI
InChI=1S/C11H16O4/c1-2-15-9(14)11(8(12)13)6-10(7-11)4-3-5-10/h2-7H2,1H3,(H,12,13)
InChIKey
GERXLPFYYYKBMM-UHFFFAOYSA-N
Compound name
2-ethoxycarbonylspiro[3.3]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.10486 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11214 157.4
[M+Na]+ 235.09408 156.4
[M+NH4]+ 230.13868 158.3
[M+K]+ 251.06802 153.3
[M-H]- 211.09758 151.8
[M+Na-2H]- 233.07953 156.8
[M]+ 212.10431 153.4
[M]- 212.10541 153.4
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.