CID 14691274

5-methoxy-2-methylene-5-oxopentanoic acid

Structural Information

Molecular Formula
C7H10O4
SMILES
COC(=O)CCC(=C)C(=O)O
InChI
InChI=1S/C7H10O4/c1-5(7(9)10)3-4-6(8)11-2/h1,3-4H2,2H3,(H,9,10)
InChIKey
OKHGTVXZDNDAGT-UHFFFAOYSA-N
Compound name
5-methoxy-2-methylidene-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

158.0579 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06518 131.7
[M+Na]+ 181.04712 138.4
[M-H]- 157.05062 130.7
[M+NH4]+ 176.09172 151.7
[M+K]+ 197.02106 138.4
[M+H-H2O]+ 141.05516 127.3
[M+HCOO]- 203.05610 152.3
[M+CH3COO]- 217.07175 174.7
[M+Na-2H]- 179.03257 134.2
[M]+ 158.05735 133.2
[M]- 158.05845 133.2
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