CID 363705

Ahs-3/51 azomycin acyclonucleoside

Structural Information

Molecular Formula
C6H9N3O4
SMILES
C1=CN(C(=N1)[N+](=O)[O-])COCCO
InChI
InChI=1S/C6H9N3O4/c10-3-4-13-5-8-2-1-7-6(8)9(11)12/h1-2,10H,3-5H2
InChIKey
MXOGOOYEWPLTOB-UHFFFAOYSA-N
Compound name
2-[(2-nitroimidazol-1-yl)methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

187.05931 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.06659 135.6
[M+Na]+ 210.04853 143.1
[M-H]- 186.05203 135.6
[M+NH4]+ 205.09313 152.8
[M+K]+ 226.02247 138.3
[M+H-H2O]+ 170.05657 133.1
[M+HCOO]- 232.05751 159.3
[M+CH3COO]- 246.07316 171.5
[M+Na-2H]- 208.03398 143.6
[M]+ 187.05876 135.9
[M]- 187.05986 135.9
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