CID 11321967

2-[2-(benzyloxy)-2-oxoethyl]acrylic acid

Structural Information

Molecular Formula
C12H12O4
SMILES
C=C(CC(=O)OCC1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C12H12O4/c1-9(12(14)15)7-11(13)16-8-10-5-3-2-4-6-10/h2-6H,1,7-8H2,(H,14,15)
InChIKey
SKBASSYZBXKFKB-UHFFFAOYSA-N
Compound name
2-methylidene-4-oxo-4-phenylmethoxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

339
Patents

220.07356 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08084 148.4
[M+Na]+ 243.06278 158.4
[M+NH4]+ 238.10738 154.3
[M+K]+ 259.03672 154.3
[M-H]- 219.06628 147.7
[M+Na-2H]- 241.04823 152.5
[M]+ 220.07301 149.2
[M]- 220.07411 149.2
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