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 146.0
[M+Na]+ 235.09408 148.9
[M-H]- 211.09758 149.9
[M+NH4]+ 230.13868 154.1
[M+K]+ 251.06802 153.7
[M+H-H2O]+ 195.10212 134.2
[M+HCOO]- 257.10306 161.2
[M+CH3COO]- 271.11871 195.0
[M+Na-2H]- 233.07953 149.2
[M]+ 212.10431 161.9
[M]- 212.10541 161.9
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.