CID 2777172

5811-88-1

Structural Information

Molecular Formula

C₁₂H₉NO₃

SMILES

C1=CC2=C(C(=C1)C(=O)N)C(=CC=C2)C(=O)O

InChI

InChI=1S/C12H9NO3/c13-11(14)8-5-1-3-7-4-2-6-9(10(7)8)12(15)16/h1-6H,(H2,13,14)(H,15,16)

InChIKey

GRVIMBYDMARKEZ-UHFFFAOYSA-N

Compound name

8-carbamoylnaphthalene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 160
Patents: 215.05824 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	216.06552	143.7
[M+Na]+	238.04746	151.6
[M-H]-	214.05096	146.8
[M+NH4]+	233.09206	162.0
[M+K]+	254.02140	148.5
[M+H-H2O]+	198.05550	137.7
[M+HCOO]-	260.05644	165.0
[M+CH3COO]-	274.07209	188.2
[M+Na-2H]-	236.03291	148.6
[M]+	215.05769	142.3
[M]-	215.05879	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe