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

485
Patents

220.07356 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.080836 147.6
[M+Na]+ 243.062778 153.3
[M-H]- 219.066284 149.5
[M+NH4]+ 238.107383 164.7
[M+K]+ 259.036718 151.5
[M+H-H2O]+ 203.070820 141.5
[M+HCOO]- 265.071761 168.2
[M+CH3COO]- 279.087411 185.2
[M+Na-2H]- 241.048226 150.1
[M]+ 220.07301142 148.4
[M]- 220.07410858 148.4
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