CID 63073760

3-(benzyloxy)-2-ethoxypropanoic acid

Structural Information

Molecular Formula
C12H16O4
SMILES
CCOC(COCC1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C12H16O4/c1-2-16-11(12(13)14)9-15-8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,13,14)
InChIKey
AXXWTQDIWZEQIH-UHFFFAOYSA-N
Compound name
2-ethoxy-3-phenylmethoxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.10486 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11214 150.3
[M+Na]+ 247.09408 155.5
[M-H]- 223.09758 151.9
[M+NH4]+ 242.13868 167.4
[M+K]+ 263.06802 154.4
[M+H-H2O]+ 207.10212 143.8
[M+HCOO]- 269.10306 171.4
[M+CH3COO]- 283.11871 186.7
[M+Na-2H]- 245.07953 153.9
[M]+ 224.10431 153.2
[M]- 224.10541 153.2
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

No patent data available for this compound.