CID 34656

2-(4-hydroxyphenyl)butanoic acid

Structural Information

Molecular Formula
C10H12O3
SMILES
CCC(C1=CC=C(C=C1)O)C(=O)O
InChI
InChI=1S/C10H12O3/c1-2-9(10(12)13)7-3-5-8(11)6-4-7/h3-6,9,11H,2H2,1H3,(H,12,13)
InChIKey
GEQWCUVIQMRCAZ-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

321
Patents

180.07864 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 137.9
[M+Na]+ 203.06786 144.6
[M-H]- 179.07136 139.0
[M+NH4]+ 198.11246 156.5
[M+K]+ 219.04180 142.6
[M+H-H2O]+ 163.07590 132.6
[M+HCOO]- 225.07684 158.0
[M+CH3COO]- 239.09249 177.2
[M+Na-2H]- 201.05331 141.3
[M]+ 180.07809 137.1
[M]- 180.07919 137.1
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