CID 211783

23571-46-2

Structural Information

Molecular Formula
C10H13N3O6
SMILES
CC1=CN=C(N1CCOC(=O)CCC(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C10H13N3O6/c1-7-6-11-10(13(17)18)12(7)4-5-19-9(16)3-2-8(14)15/h6H,2-5H2,1H3,(H,14,15)
InChIKey
JTXMKNWEENMQPM-UHFFFAOYSA-N
Compound name
4-[2-(5-methyl-2-nitroimidazol-1-yl)ethoxy]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.08044 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.08772 157.0
[M+Na]+ 294.06966 165.3
[M+NH4]+ 289.11426 160.2
[M+K]+ 310.04360 167.8
[M-H]- 270.07316 154.7
[M+Na-2H]- 292.05511 157.7
[M]+ 271.07989 156.7
[M]- 271.08099 156.7
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.