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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.11722 147.6
[M+Na]+ 231.09916 153.1
[M-H]- 207.10266 149.4
[M+NH4]+ 226.14376 165.6
[M+K]+ 247.07310 151.5
[M+H-H2O]+ 191.10720 141.5
[M+HCOO]- 253.10814 168.6
[M+CH3COO]- 267.12379 183.9
[M+Na-2H]- 229.08461 151.2
[M]+ 208.10939 149.0
[M]- 208.11049 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