CID 33695230

6-oxospiro[3.3]heptane-2-carboxylic acid

Structural Information

Molecular Formula
C8H10O3
SMILES
C1C(CC12CC(=O)C2)C(=O)O
InChI
InChI=1S/C8H10O3/c9-6-3-8(4-6)1-5(2-8)7(10)11/h5H,1-4H2,(H,10,11)
InChIKey
FGDRQRQOJRZARK-UHFFFAOYSA-N
Compound name
2-oxospiro[3.3]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

154.06299 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 124.4
[M+Na]+ 177.05221 129.0
[M-H]- 153.05571 128.9
[M+NH4]+ 172.09681 133.3
[M+K]+ 193.02615 133.6
[M+H-H2O]+ 137.06025 112.1
[M+HCOO]- 199.06119 141.5
[M+CH3COO]- 213.07684 186.3
[M+Na-2H]- 175.03766 129.1
[M]+ 154.06244 138.9
[M]- 154.06354 138.9
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

patents stripe