CID 88922

21472-25-3

Structural Information

Molecular Formula

C₅H₇N₃O₂

SMILES

CCC1=CN=C(N1)[N+](=O)[O-]

InChI

InChI=1S/C5H7N3O2/c1-2-4-3-6-5(7-4)8(9)10/h3H,2H2,1H3,(H,6,7)

InChIKey

ANTIQDYZXQCQJF-UHFFFAOYSA-N

Compound name

5-ethyl-2-nitro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 141.05383 Da
Monoisotopic Mass: 1.1
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]+	142.06111	125.4
[M+Na]+	164.04305	133.8
[M-H]-	140.04655	125.7
[M+NH4]+	159.08765	144.8
[M+K]+	180.01699	128.3
[M+H-H2O]+	124.05109	123.6
[M+HCOO]-	186.05203	149.2
[M+CH3COO]-	200.06768	164.3
[M+Na-2H]-	162.02850	133.7
[M]+	141.05328	122.7
[M]-	141.05438	122.7

Literature stripe

literature stripe

Patent stripe

patents stripe