CID 61669401

4-amino-3-(4-hydroxybutoxy)benzoic acid

Structural Information

Molecular Formula
C11H15NO4
SMILES
C1=CC(=C(C=C1C(=O)O)OCCCCO)N
InChI
InChI=1S/C11H15NO4/c12-9-4-3-8(11(14)15)7-10(9)16-6-2-1-5-13/h3-4,7,13H,1-2,5-6,12H2,(H,14,15)
InChIKey
SAKYWUPGSPAUGN-UHFFFAOYSA-N
Compound name
4-amino-3-(4-hydroxybutoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

225.10011 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.107386 149.2
[M+Na]+ 248.089328 155.5
[M-H]- 224.092834 149.7
[M+NH4]+ 243.133933 165.5
[M+K]+ 264.063268 153.1
[M+H-H2O]+ 208.097370 142.9
[M+HCOO]- 270.098311 170.4
[M+CH3COO]- 284.113961 187.3
[M+Na-2H]- 246.074776 151.9
[M]+ 225.09956142 149.4
[M]- 225.10065858 149.4
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