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
2
Annotation Hits

1
References

118
Patents

194.0943 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.101576 143.3
[M+Na]+ 217.083518 148.7
[M-H]- 193.087024 143.8
[M+NH4]+ 212.128123 161.0
[M+K]+ 233.057458 146.4
[M+H-H2O]+ 177.091560 137.6
[M+HCOO]- 239.092501 163.1
[M+CH3COO]- 253.108151 179.0
[M+Na-2H]- 215.068966 146.9
[M]+ 194.09375142 142.5
[M]- 194.09484858 142.5
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