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

0
Patents

215.0906 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.09788 144.6
[M+Na]+ 238.07982 154.9
[M+NH4]+ 233.12442 150.1
[M+K]+ 254.05376 155.2
[M-H]- 214.08332 144.2
[M+Na-2H]- 236.06527 147.5
[M]+ 215.09005 145.4
[M]- 215.09115 145.4
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.