CID 10943693

Ethyl 4-hydroxy-4-phenylbutanoate

Structural Information

Molecular Formula
C12H16O3
SMILES
CCOC(=O)CCC(C1=CC=CC=C1)O
InChI
InChI=1S/C12H16O3/c1-2-15-12(14)9-8-11(13)10-6-4-3-5-7-10/h3-7,11,13H,2,8-9H2,1H3
InChIKey
JUIBZVQXJULPCN-UHFFFAOYSA-N
Compound name
ethyl 4-hydroxy-4-phenylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

208.10994 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.11722 147.4
[M+Na]+ 231.09916 158.2
[M+NH4]+ 226.14376 154.5
[M+K]+ 247.07310 152.7
[M-H]- 207.10266 148.0
[M+Na-2H]- 229.08461 152.5
[M]+ 208.10939 148.8
[M]- 208.11049 148.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe