CID 204324

2-(2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethoxy)ethanol

Structural Information

Molecular Formula
C8H13N3O4
SMILES
CC1=NC=C(N1CCOCCO)[N+](=O)[O-]
InChI
InChI=1S/C8H13N3O4/c1-7-9-6-8(11(13)14)10(7)2-4-15-5-3-12/h6,12H,2-5H2,1H3
InChIKey
UGPDZGBXWBKFMT-UHFFFAOYSA-N
Compound name
2-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

215.0906 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.09788 144.9
[M+Na]+ 238.07982 152.5
[M-H]- 214.08332 145.0
[M+NH4]+ 233.12442 161.4
[M+K]+ 254.05376 147.2
[M+H-H2O]+ 198.08786 142.4
[M+HCOO]- 260.08880 168.0
[M+CH3COO]- 274.10445 178.7
[M+Na-2H]- 236.06527 151.2
[M]+ 215.09005 146.3
[M]- 215.09115 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