CID 90177

23571-38-2

Structural Information

Molecular Formula
C6H9N3O3
SMILES
CC1=CN=C(N1CCO)[N+](=O)[O-]
InChI
InChI=1S/C6H9N3O3/c1-5-4-7-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3
InChIKey
FIIUIEQMEKWLPT-UHFFFAOYSA-N
Compound name
2-(5-methyl-2-nitroimidazol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

171.06439 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.071666 132.7
[M+Na]+ 194.053608 141.4
[M-H]- 170.057114 133.2
[M+NH4]+ 189.098213 151.1
[M+K]+ 210.027548 136.1
[M+H-H2O]+ 154.061650 130.8
[M+HCOO]- 216.062591 156.3
[M+CH3COO]- 230.078241 170.5
[M+Na-2H]- 192.039056 140.0
[M]+ 171.06384142 132.1
[M]- 171.06493858 132.1
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

patents stripe