CID 4189498

4-(2-hydroxyphenyl)butanoic acid

Structural Information

Molecular Formula
C10H12O3
SMILES
C1=CC=C(C(=C1)CCCC(=O)O)O
InChI
InChI=1S/C10H12O3/c11-9-6-2-1-4-8(9)5-3-7-10(12)13/h1-2,4,6,11H,3,5,7H2,(H,12,13)
InChIKey
CTIJRJWOAGTXJC-UHFFFAOYSA-N
Compound name
4-(2-hydroxyphenyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

249
Patents

180.07864 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.085916 137.8
[M+Na]+ 203.067858 144.7
[M-H]- 179.071364 138.8
[M+NH4]+ 198.112463 156.4
[M+K]+ 219.041798 142.2
[M+H-H2O]+ 163.075900 132.4
[M+HCOO]- 225.076841 158.9
[M+CH3COO]- 239.092491 176.3
[M+Na-2H]- 201.053306 142.5
[M]+ 180.07809142 137.6
[M]- 180.07918858 137.6
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