CID 245422

4-(2-methoxyethoxy)-4-oxobutanoic acid

Structural Information

Molecular Formula
C7H12O5
SMILES
COCCOC(=O)CCC(=O)O
InChI
InChI=1S/C7H12O5/c1-11-4-5-12-7(10)3-2-6(8)9/h2-5H2,1H3,(H,8,9)
InChIKey
CKCOHXVHUGFEHI-UHFFFAOYSA-N
Compound name
4-(2-methoxyethoxy)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

69
Patents

176.06847 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07575 136.9
[M+Na]+ 199.05769 144.7
[M+NH4]+ 194.10229 142.0
[M+K]+ 215.03163 141.9
[M-H]- 175.06119 133.3
[M+Na-2H]- 197.04314 137.8
[M]+ 176.06792 136.4
[M]- 176.06902 136.4
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