CID 18008536

2-hydroxy-5-phenylpentanoic acid

Structural Information

Molecular Formula
C11H14O3
SMILES
C1=CC=C(C=C1)CCCC(C(=O)O)O
InChI
InChI=1S/C11H14O3/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10,12H,4,7-8H2,(H,13,14)
InChIKey
JZWSJKRJDWHVBS-UHFFFAOYSA-N
Compound name
2-hydroxy-5-phenylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

101
Patents

194.0943 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 143.3
[M+Na]+ 217.08352 153.7
[M+NH4]+ 212.12812 150.3
[M+K]+ 233.05746 148.9
[M-H]- 193.08702 143.4
[M+Na-2H]- 215.06897 148.1
[M]+ 194.09375 144.5
[M]- 194.09485 144.5
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