CID 10774726

Methyl 2-hydroxy-5-phenylpentanoate

Structural Information

Molecular Formula

C₁₂H₁₆O₃

SMILES

COC(=O)C(CCCC1=CC=CC=C1)O

InChI

InChI=1S/C12H16O3/c1-15-12(14)11(13)9-5-8-10-6-3-2-4-7-10/h2-4,6-7,11,13H,5,8-9H2,1H3

InChIKey

RFHCTDQZRLDGQU-UHFFFAOYSA-N

Compound name

methyl 2-hydroxy-5-phenylpentanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 208.10994 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe