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]+ 213.112136 146.0
[M+Na]+ 235.094078 148.9
[M-H]- 211.097584 149.9
[M+NH4]+ 230.138683 154.1
[M+K]+ 251.068018 153.7
[M+H-H2O]+ 195.102120 134.2
[M+HCOO]- 257.103061 161.2
[M+CH3COO]- 271.118711 195.0
[M+Na-2H]- 233.079526 149.2
[M]+ 212.10431142 161.9
[M]- 212.10540858 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.