CID 385620

13065-86-6

Structural Information

Molecular Formula
C11H9NO3
SMILES
C1=CC=C2C(=C1)C=C(C(=C2N)O)C(=O)O
InChI
InChI=1S/C11H9NO3/c12-9-7-4-2-1-3-6(7)5-8(10(9)13)11(14)15/h1-5,13H,12H2,(H,14,15)
InChIKey
VCJJAJXTFPNHON-UHFFFAOYSA-N
Compound name
4-amino-3-hydroxynaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

203.05824 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 140.3
[M+Na]+ 226.04746 149.2
[M-H]- 202.05096 142.6
[M+NH4]+ 221.09206 158.9
[M+K]+ 242.02140 145.6
[M+H-H2O]+ 186.05550 134.9
[M+HCOO]- 248.05644 161.3
[M+CH3COO]- 262.07209 184.0
[M+Na-2H]- 224.03291 145.8
[M]+ 203.05769 138.5
[M]- 203.05879 138.5
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