CID 2733954

6-aminonaphthalene-2-carboxylic acid

Structural Information

Molecular Formula
C11H9NO2
SMILES
C1=CC2=C(C=CC(=C2)N)C=C1C(=O)O
InChI
InChI=1S/C11H9NO2/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6H,12H2,(H,13,14)
InChIKey
NZTPZUIIYNYZKT-UHFFFAOYSA-N
Compound name
6-aminonaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2721
Patents

187.06332 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.07060 136.9
[M+Na]+ 210.05254 145.5
[M-H]- 186.05604 140.3
[M+NH4]+ 205.09714 156.7
[M+K]+ 226.02648 142.0
[M+H-H2O]+ 170.06058 131.3
[M+HCOO]- 232.06152 159.3
[M+CH3COO]- 246.07717 182.9
[M+Na-2H]- 208.03799 143.6
[M]+ 187.06277 135.1
[M]- 187.06387 135.1
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