CID 110514

5-carbamoyl-2-methoxybenzenediazonium

Structural Information

Molecular Formula

C₈H₈N₃O₂

SMILES

COC1=C(C=C(C=C1)C(=O)N)[N+]#N

InChI

InChI=1S/C8H7N3O2/c1-13-7-3-2-5(8(9)12)4-6(7)11-10/h2-4H,1H3,(H-,9,12)/p+1

InChIKey

YCZWPGJJYNAACC-UHFFFAOYSA-O

Compound name

5-carbamoyl-2-methoxybenzenediazonium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 178.06165 Da
Monoisotopic Mass: 1.4
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]+	179.06893	137.3
[M+Na]+	201.05087	149.7
[M+NH4]+	196.09547	142.4
[M+K]+	217.02481	142.3
[M-H]-	177.05437	134.1
[M+Na-2H]-	199.03632	141.9
[M]+	178.06110	137.4
[M]-	178.06220	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe