CID 4092288

5-(2-hydroxy-3-methoxyphenyl)pentanoic acid

Structural Information

Molecular Formula
C12H16O4
SMILES
COC1=CC=CC(=C1O)CCCCC(=O)O
InChI
InChI=1S/C12H16O4/c1-16-10-7-4-6-9(12(10)15)5-2-3-8-11(13)14/h4,6-7,15H,2-3,5,8H2,1H3,(H,13,14)
InChIKey
LPZLMONXQLCMOD-UHFFFAOYSA-N
Compound name
5-(2-hydroxy-3-methoxyphenyl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

224.10486 Da
Monoisotopic Mass

2.2
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

literature stripe

Patent stripe

patents stripe