CID 209352

19765-12-9

Structural Information

Molecular Formula
C8H13N3O4
SMILES
CC1=NC(=CN1CCOCCO)[N+](=O)[O-]
InChI
InChI=1S/C8H13N3O4/c1-7-9-8(11(13)14)6-10(7)2-4-15-5-3-12/h6,12H,2-5H2,1H3
InChIKey
QVBSLSLSXFFXMW-UHFFFAOYSA-N
Compound name
2-[2-(2-methyl-4-nitroimidazol-1-yl)ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

215.0906 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.097876 144.9
[M+Na]+ 238.079818 152.5
[M-H]- 214.083324 145.0
[M+NH4]+ 233.124423 161.4
[M+K]+ 254.053758 147.2
[M+H-H2O]+ 198.087860 142.4
[M+HCOO]- 260.088801 168.0
[M+CH3COO]- 274.104451 178.7
[M+Na-2H]- 236.065266 151.2
[M]+ 215.09005142 146.3
[M]- 215.09114858 146.3
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