CID 177800077

4-methyl-6-oxo-5-oxaspiro[2.3]hexane-4-carboxylic acid

Structural Information

Molecular Formula
C7H8O4
SMILES
CC1(C2(CC2)C(=O)O1)C(=O)O
InChI
InChI=1S/C7H8O4/c1-6(4(8)9)7(2-3-7)5(10)11-6/h2-3H2,1H3,(H,8,9)
InChIKey
UDMFWKZSADSPID-UHFFFAOYSA-N
Compound name
6-methyl-4-oxo-5-oxaspiro[2.3]hexane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.04225 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.049526 128.9
[M+Na]+ 179.031468 138.3
[M-H]- 155.034974 135.9
[M+NH4]+ 174.076073 141.2
[M+K]+ 195.005408 141.9
[M+H-H2O]+ 139.039510 122.0
[M+HCOO]- 201.040451 147.7
[M+CH3COO]- 215.056101 179.2
[M+Na-2H]- 177.016916 137.1
[M]+ 156.04170142 141.7
[M]- 156.04279858 141.7
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.