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]+ 226.10739 149.2
[M+Na]+ 248.08933 155.5
[M-H]- 224.09283 149.7
[M+NH4]+ 243.13393 165.5
[M+K]+ 264.06327 153.1
[M+H-H2O]+ 208.09737 142.9
[M+HCOO]- 270.09831 170.4
[M+CH3COO]- 284.11396 187.3
[M+Na-2H]- 246.07478 151.9
[M]+ 225.09956 149.4
[M]- 225.10066 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