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]+ 222.08733 144.6
[M+Na]+ 244.06927 154.5
[M-H]- 220.07277 146.5
[M+NH4]+ 239.11387 162.2
[M+K]+ 260.04321 147.2
[M+H-H2O]+ 204.07731 142.3
[M+HCOO]- 266.07825 168.1
[M+CH3COO]- 280.09390 181.0
[M+Na-2H]- 242.05472 153.1
[M]+ 221.07950 146.1
[M]- 221.08060 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.