CID 66337896

5-methoxy-4-oxopentanoic acid

Structural Information

Molecular Formula
C6H10O4
SMILES
COCC(=O)CCC(=O)O
InChI
InChI=1S/C6H10O4/c1-10-4-5(7)2-3-6(8)9/h2-4H2,1H3,(H,8,9)
InChIKey
RMBANKNGTIDOSZ-UHFFFAOYSA-N
Compound name
5-methoxy-4-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

146.0579 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.06518 128.5
[M+Na]+ 169.04712 135.4
[M-H]- 145.05062 127.5
[M+NH4]+ 164.09172 149.1
[M+K]+ 185.02106 135.8
[M+H-H2O]+ 129.05516 124.0
[M+HCOO]- 191.05610 150.2
[M+CH3COO]- 205.07175 172.3
[M+Na-2H]- 167.03257 132.7
[M]+ 146.05735 131.0
[M]- 146.05845 131.0
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