CID 137951962

6-oxaspiro[3.4]oct-1-ene-2-carboxylic acid

Structural Information

Molecular Formula
C8H10O3
SMILES
C1COCC12CC(=C2)C(=O)O
InChI
InChI=1S/C8H10O3/c9-7(10)6-3-8(4-6)1-2-11-5-8/h3H,1-2,4-5H2,(H,9,10)
InChIKey
FKFTXCNQSAWTMB-UHFFFAOYSA-N
Compound name
6-oxaspiro[3.4]oct-2-ene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.06299 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 125.5
[M+Na]+ 177.05221 131.3
[M-H]- 153.05571 130.7
[M+NH4]+ 172.09681 141.8
[M+K]+ 193.02615 134.2
[M+H-H2O]+ 137.06025 117.1
[M+HCOO]- 199.06119 145.3
[M+CH3COO]- 213.07684 173.9
[M+Na-2H]- 175.03766 131.8
[M]+ 154.06244 132.9
[M]- 154.06354 132.9
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.