CID 175956

50940-49-3

Structural Information

Molecular Formula
C9H12O6
SMILES
C=CC(=O)OCCOC(=O)CCC(=O)O
InChI
InChI=1S/C9H12O6/c1-2-8(12)14-5-6-15-9(13)4-3-7(10)11/h2H,1,3-6H2,(H,10,11)
InChIKey
UZDMJPAQQFSMMV-UHFFFAOYSA-N
Compound name
4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9908
Patents

216.06339 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.07067 146.7
[M+Na]+ 239.05261 153.4
[M+NH4]+ 234.09721 150.3
[M+K]+ 255.02655 151.4
[M-H]- 215.05611 141.8
[M+Na-2H]- 237.03806 146.1
[M]+ 216.06284 145.5
[M]- 216.06394 145.5
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