CID 113031

63133-78-8

Structural Information

Molecular Formula
C13H11NO4
SMILES
CC(=O)NC1=CC=CC2=C1C=CC(=C2O)C(=O)O
InChI
InChI=1S/C13H11NO4/c1-7(15)14-11-4-2-3-9-8(11)5-6-10(12(9)16)13(17)18/h2-6,16H,1H3,(H,14,15)(H,17,18)
InChIKey
JPUYRWWCTSJJED-UHFFFAOYSA-N
Compound name
5-acetamido-1-hydroxynaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

245.0688 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.07608 150.8
[M+Na]+ 268.05802 158.7
[M-H]- 244.06152 153.3
[M+NH4]+ 263.10262 167.7
[M+K]+ 284.03196 155.6
[M+H-H2O]+ 228.06606 144.9
[M+HCOO]- 290.06700 171.1
[M+CH3COO]- 304.08265 192.4
[M+Na-2H]- 266.04347 155.2
[M]+ 245.06825 150.7
[M]- 245.06935 150.7
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