CID 49831816

5-(3,4-dihydroxyphenyl)pentanoic acid

Structural Information

Molecular Formula
C11H14O4
SMILES
C1=CC(=C(C=C1CCCCC(=O)O)O)O
InChI
InChI=1S/C11H14O4/c12-9-6-5-8(7-10(9)13)3-1-2-4-11(14)15/h5-7,12-13H,1-4H2,(H,14,15)
InChIKey
KTDWBJGUMIZRHU-UHFFFAOYSA-N
Compound name
5-(3,4-dihydroxyphenyl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

48
Patents

210.0892 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09648 145.9
[M+Na]+ 233.07842 156.4
[M+NH4]+ 228.12302 152.0
[M+K]+ 249.05236 152.0
[M-H]- 209.08192 145.3
[M+Na-2H]- 231.06387 149.6
[M]+ 210.08865 146.9
[M]- 210.08975 146.9
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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