CID 14691274

5-methoxy-2-methylidene-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

45
Patents

158.0579 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.065176 131.7
[M+Na]+ 181.047118 138.4
[M-H]- 157.050624 130.7
[M+NH4]+ 176.091723 151.7
[M+K]+ 197.021058 138.4
[M+H-H2O]+ 141.055160 127.3
[M+HCOO]- 203.056101 152.3
[M+CH3COO]- 217.071751 174.7
[M+Na-2H]- 179.032566 134.2
[M]+ 158.05735142 133.2
[M]- 158.05844858 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