CID 5901676

D7vbe5p77c

Structural Information

Molecular Formula
C8H12N4O5
SMILES
C1=C(N(C(=N1)/C=[N+](/CCO)\[O-])CCO)[N+](=O)[O-]
InChI
InChI=1S/C8H12N4O5/c13-3-1-10(15)6-7-9-5-8(12(16)17)11(7)2-4-14/h5-6,13-14H,1-4H2/b10-6-
InChIKey
QEUCILJFKDZKEO-POHAHGRESA-N
Compound name
N-(2-hydroxyethyl)-1-[1-(2-hydroxyethyl)-5-nitroimidazol-2-yl]methanimine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.08076 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08804 152.5
[M+Na]+ 267.06998 157.9
[M-H]- 243.07348 151.4
[M+NH4]+ 262.11458 165.6
[M+K]+ 283.04392 147.4
[M+H-H2O]+ 227.07802 154.2
[M+HCOO]- 289.07896 174.2
[M+CH3COO]- 303.09461 175.8
[M+Na-2H]- 265.05543 160.2
[M]+ 244.08021 148.7
[M]- 244.08131 148.7
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.