CID 65947175

Ethyl 2-hydroxy-5-phenylpentanoate

Structural Information

Molecular Formula
C13H18O3
SMILES
CCOC(=O)C(CCCC1=CC=CC=C1)O
InChI
InChI=1S/C13H18O3/c1-2-16-13(15)12(14)10-6-9-11-7-4-3-5-8-11/h3-5,7-8,12,14H,2,6,9-10H2,1H3
InChIKey
GMUMCPXYFSFMLG-UHFFFAOYSA-N
Compound name
ethyl 2-hydroxy-5-phenylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

222.1256 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.132876 152.3
[M+Na]+ 245.114818 157.3
[M-H]- 221.118324 153.9
[M+NH4]+ 240.159423 169.7
[M+K]+ 261.088758 155.4
[M+H-H2O]+ 205.122860 145.9
[M+HCOO]- 267.123801 172.9
[M+CH3COO]- 281.139451 186.9
[M+Na-2H]- 243.100266 155.3
[M]+ 222.12505142 154.1
[M]- 222.12614858 154.1
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