CID 21931

Benzimidazole, 5,6-dimethyl-2-nitro-

Structural Information

Molecular Formula
C9H9N3O2
SMILES
CC1=CC2=C(C=C1C)N=C(N2)[N+](=O)[O-]
InChI
InChI=1S/C9H9N3O2/c1-5-3-7-8(4-6(5)2)11-9(10-7)12(13)14/h3-4H,1-2H3,(H,10,11)
InChIKey
SDDLSJMSWXYOFX-UHFFFAOYSA-N
Compound name
5,6-dimethyl-2-nitro-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.06947 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.076746 136.7
[M+Na]+ 214.058688 147.3
[M-H]- 190.062194 138.7
[M+NH4]+ 209.103293 155.7
[M+K]+ 230.032628 139.7
[M+H-H2O]+ 174.066730 134.8
[M+HCOO]- 236.067671 160.4
[M+CH3COO]- 250.083321 175.8
[M+Na-2H]- 212.044136 145.6
[M]+ 191.06892142 136.6
[M]- 191.07001858 136.6
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