CID 33699005

6-oxospiro[3.3]heptane-2,2-dicarboxylic acid

Structural Information

Molecular Formula
C9H10O5
SMILES
C1C(=O)CC12CC(C2)(C(=O)O)C(=O)O
InChI
InChI=1S/C9H10O5/c10-5-1-8(2-5)3-9(4-8,6(11)12)7(13)14/h1-4H2,(H,11,12)(H,13,14)
InChIKey
DQCDFXIUPJNZGB-UHFFFAOYSA-N
Compound name
6-oxospiro[3.3]heptane-2,2-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.05283 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.060106 140.2
[M+Na]+ 221.042048 143.9
[M-H]- 197.045554 143.3
[M+NH4]+ 216.086653 148.1
[M+K]+ 237.015988 148.4
[M+H-H2O]+ 181.050090 128.8
[M+HCOO]- 243.051031 154.7
[M+CH3COO]- 257.066681 190.4
[M+Na-2H]- 219.027496 143.3
[M]+ 198.05228142 154.8
[M]- 198.05337858 154.8
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.