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

604
Patents

205.08513 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.092406 141.3
[M+Na]+ 228.074348 150.3
[M-H]- 204.077854 142.9
[M+NH4]+ 223.118953 159.3
[M+K]+ 244.048288 143.0
[M+H-H2O]+ 188.082390 139.1
[M+HCOO]- 250.083331 163.7
[M+CH3COO]- 264.098981 178.5
[M+Na-2H]- 226.059796 149.2
[M]+ 205.08458142 140.6
[M]- 205.08567858 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe