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]+ 199.06011 140.2
[M+Na]+ 221.04205 143.9
[M-H]- 197.04555 143.3
[M+NH4]+ 216.08665 148.1
[M+K]+ 237.01599 148.4
[M+H-H2O]+ 181.05009 128.8
[M+HCOO]- 243.05103 154.7
[M+CH3COO]- 257.06668 190.4
[M+Na-2H]- 219.02750 143.3
[M]+ 198.05228 154.8
[M]- 198.05338 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.