CID 247362

6-(4-hydroxyphenyl)hexanoic acid

Structural Information

Molecular Formula
C12H16O3
SMILES
C1=CC(=CC=C1CCCCCC(=O)O)O
InChI
InChI=1S/C12H16O3/c13-11-8-6-10(7-9-11)4-2-1-3-5-12(14)15/h6-9,13H,1-5H2,(H,14,15)
InChIKey
DQTMUMLMQOJHCI-UHFFFAOYSA-N
Compound name
6-(4-hydroxyphenyl)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

208.10994 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.11722 147.0
[M+Na]+ 231.09916 153.1
[M-H]- 207.10266 147.6
[M+NH4]+ 226.14376 164.5
[M+K]+ 247.07310 150.1
[M+H-H2O]+ 191.10720 141.2
[M+HCOO]- 253.10814 167.5
[M+CH3COO]- 267.12379 182.3
[M+Na-2H]- 229.08461 150.7
[M]+ 208.10939 147.6
[M]- 208.11049 147.6
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