CID 7016423

5-(4-hydroxyphenyl)pentanoic acid

Structural Information

Molecular Formula
C11H14O3
SMILES
C1=CC(=CC=C1CCCCC(=O)O)O
InChI
InChI=1S/C11H14O3/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h5-8,12H,1-4H2,(H,13,14)
InChIKey
YSSJQFONKASLKM-UHFFFAOYSA-N
Compound name
5-(4-hydroxyphenyl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

194.0943 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 142.8
[M+Na]+ 217.08352 154.0
[M+NH4]+ 212.12812 149.9
[M+K]+ 233.05746 148.5
[M-H]- 193.08702 143.2
[M+Na-2H]- 215.06897 147.8
[M]+ 194.09375 144.2
[M]- 194.09485 144.2
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

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