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

4
Patents

142.06299 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.070266 127.5
[M+Na]+ 165.052208 136.7
[M-H]- 141.055714 133.7
[M+NH4]+ 160.096813 146.0
[M+K]+ 181.026148 136.5
[M+H-H2O]+ 125.060250 123.5
[M+HCOO]- 187.061191 147.5
[M+CH3COO]- 201.076841 171.8
[M+Na-2H]- 163.037656 134.1
[M]+ 142.06244142 128.8
[M]- 142.06353858 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