CID 13440887

5043-19-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

518
Patents

187.06332 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.070596 136.9
[M+Na]+ 210.052538 145.5
[M-H]- 186.056044 140.3
[M+NH4]+ 205.097143 156.7
[M+K]+ 226.026478 142.0
[M+H-H2O]+ 170.060580 131.3
[M+HCOO]- 232.061521 159.3
[M+CH3COO]- 246.077171 182.9
[M+Na-2H]- 208.037986 143.6
[M]+ 187.06277142 135.1
[M]- 187.06386858 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

No literature data available for this compound.

Patent stripe

patents stripe