CID 683202

16405-84-8

Structural Information

Molecular Formula

C₁₀H₁₁N₃O₂

SMILES

CC(C)C1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H11N3O2/c1-6(2)10-11-8-4-3-7(13(14)15)5-9(8)12-10/h3-6H,1-2H3,(H,11,12)

InChIKey

HPTQXZVPWMFRBA-UHFFFAOYSA-N

Compound name

6-nitro-2-propan-2-yl-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 335
Patents: 205.08513 Da
Monoisotopic Mass: 2.9
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]+	206.09241	141.3
[M+Na]+	228.07435	150.3
[M-H]-	204.07785	142.9
[M+NH4]+	223.11895	159.3
[M+K]+	244.04829	143.0
[M+H-H2O]+	188.08239	139.1
[M+HCOO]-	250.08333	163.7
[M+CH3COO]-	264.09898	178.5
[M+Na-2H]-	226.05980	149.2
[M]+	205.08458	140.6
[M]-	205.08568	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe