CID 272138

32018-86-3

Structural Information

Molecular Formula
C11H9NO2
SMILES
C1=CC=C2C(=C1)C=C(C=C2C(=O)O)N
InChI
InChI=1S/C11H9NO2/c12-8-5-7-3-1-2-4-9(7)10(6-8)11(13)14/h1-6H,12H2,(H,13,14)
InChIKey
YIPRQTYMJYGRER-UHFFFAOYSA-N
Compound name
3-aminonaphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

917
Patents

187.06332 Da
Monoisotopic Mass

2.4
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

No literature data available for this compound.

Patent stripe

patents stripe