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

4
Patents

208.10994 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.117216 147.6
[M+Na]+ 231.099158 153.1
[M-H]- 207.102664 149.4
[M+NH4]+ 226.143763 165.6
[M+K]+ 247.073098 151.5
[M+H-H2O]+ 191.107200 141.5
[M+HCOO]- 253.108141 168.6
[M+CH3COO]- 267.123791 183.9
[M+Na-2H]- 229.084606 151.2
[M]+ 208.10939142 149.0
[M]- 208.11048858 149.0
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