CID 95242

2-oxo-1-oxaspiro[4.5]decane-4-carboxylic acid

Structural Information

Molecular Formula
C10H14O4
SMILES
C1CCC2(CC1)C(CC(=O)O2)C(=O)O
InChI
InChI=1S/C10H14O4/c11-8-6-7(9(12)13)10(14-8)4-2-1-3-5-10/h7H,1-6H2,(H,12,13)
InChIKey
ZTXZIBLPLHQZAQ-UHFFFAOYSA-N
Compound name
2-oxo-1-oxaspiro[4.5]decane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

198.0892 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.09648 141.9
[M+Na]+ 221.07842 147.3
[M-H]- 197.08192 146.2
[M+NH4]+ 216.12302 162.8
[M+K]+ 237.05236 146.9
[M+H-H2O]+ 181.08646 137.4
[M+HCOO]- 243.08740 158.8
[M+CH3COO]- 257.10305 177.6
[M+Na-2H]- 219.06387 145.2
[M]+ 198.08865 137.1
[M]- 198.08975 137.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe