CID 763227

66668-60-8

Structural Information

Molecular Formula
C10H11N3O3
SMILES
CC1=NC2=C(N1CCO)C=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H11N3O3/c1-7-11-9-6-8(13(15)16)2-3-10(9)12(7)4-5-14/h2-3,6,14H,4-5H2,1H3
InChIKey
CHMVSMUFSDELJB-UHFFFAOYSA-N
Compound name
2-(2-methyl-5-nitrobenzimidazol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.08005 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.087326 144.6
[M+Na]+ 244.069268 154.5
[M-H]- 220.072774 146.5
[M+NH4]+ 239.113873 162.2
[M+K]+ 260.043208 147.2
[M+H-H2O]+ 204.077310 142.3
[M+HCOO]- 266.078251 168.1
[M+CH3COO]- 280.093901 181.0
[M+Na-2H]- 242.054716 153.1
[M]+ 221.07950142 146.1
[M]- 221.08059858 146.1
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

No patent data available for this compound.