CID 117475

15723-90-7

Structural Information

Molecular Formula

C₇H₇N₃O₂

SMILES

C1=CC(=CC=C1C(=N)N)[N+](=O)[O-]

InChI

InChI=1S/C7H7N3O2/c8-7(9)5-1-3-6(4-2-5)10(11)12/h1-4H,(H3,8,9)

InChIKey

RNYJYWQMEZWWPT-UHFFFAOYSA-N

Compound name

4-nitrobenzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 257
Patents: 165.05383 Da
Monoisotopic Mass: 1.2
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]+	166.06111	130.7
[M+Na]+	188.04305	141.8
[M+NH4]+	183.08765	138.4
[M+K]+	204.01699	139.7
[M-H]-	164.04655	134.4
[M+Na-2H]-	186.02850	136.9
[M]+	165.05328	132.9
[M]-	165.05438	132.9

Literature stripe

literature stripe

Patent stripe

patents stripe