CID 131347976

5-oxaspiro[2.4]heptane-6-carboxylic acid

Structural Information

Molecular Formula
C7H10O3
SMILES
C1CC12CC(OC2)C(=O)O
InChI
InChI=1S/C7H10O3/c8-6(9)5-3-7(1-2-7)4-10-5/h5H,1-4H2,(H,8,9)
InChIKey
XTNAJIDFUNLCHY-UHFFFAOYSA-N
Compound name
5-oxaspiro[2.4]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

142.06299 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.07027 127.5
[M+Na]+ 165.05221 136.7
[M-H]- 141.05571 133.7
[M+NH4]+ 160.09681 146.0
[M+K]+ 181.02615 136.5
[M+H-H2O]+ 125.06025 123.5
[M+HCOO]- 187.06119 147.5
[M+CH3COO]- 201.07684 171.8
[M+Na-2H]- 163.03766 134.1
[M]+ 142.06244 128.8
[M]- 142.06354 128.8
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

patents stripe