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

348
Patents

194.0943 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.101576 142.4
[M+Na]+ 217.083518 148.9
[M-H]- 193.087024 143.2
[M+NH4]+ 212.128123 160.5
[M+K]+ 233.057458 146.2
[M+H-H2O]+ 177.091560 136.8
[M+HCOO]- 239.092501 163.2
[M+CH3COO]- 253.108151 179.3
[M+Na-2H]- 215.068966 146.6
[M]+ 194.09375142 142.6
[M]- 194.09484858 142.6
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