CID 269307

5-(3-hydroxy-4-methoxyphenyl)pentanoic acid

Structural Information

Molecular Formula
C12H16O4
SMILES
COC1=C(C=C(C=C1)CCCCC(=O)O)O
InChI
InChI=1S/C12H16O4/c1-16-11-7-6-9(8-10(11)13)4-2-3-5-12(14)15/h6-8,13H,2-5H2,1H3,(H,14,15)
InChIKey
AMHPDFLLJHZZSL-UHFFFAOYSA-N
Compound name
5-(3-hydroxy-4-methoxyphenyl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

224.10486 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.112136 149.2
[M+Na]+ 247.094078 156.2
[M-H]- 223.097584 150.2
[M+NH4]+ 242.138683 166.3
[M+K]+ 263.068018 153.8
[M+H-H2O]+ 207.102120 143.4
[M+HCOO]- 269.103061 169.9
[M+CH3COO]- 283.118711 185.7
[M+Na-2H]- 245.079526 152.3
[M]+ 224.10431142 151.7
[M]- 224.10540858 151.7
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