CID 100153

Rsu-1069

Structural Information

Molecular Formula
C8H12N4O3
SMILES
C1CN1CC(CN2C=CN=C2[N+](=O)[O-])O
InChI
InChI=1S/C8H12N4O3/c13-7(5-10-3-4-10)6-11-2-1-9-8(11)12(14)15/h1-2,7,13H,3-6H2
InChIKey
OEWYWFJWBZNJJG-UHFFFAOYSA-N
Compound name
1-(aziridin-1-yl)-3-(2-nitroimidazol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

111
References

1840
Patents

212.09094 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.09822 145.6
[M+Na]+ 235.08016 154.1
[M-H]- 211.08366 148.2
[M+NH4]+ 230.12476 155.8
[M+K]+ 251.05410 146.2
[M+H-H2O]+ 195.08820 141.9
[M+HCOO]- 257.08914 166.7
[M+CH3COO]- 271.10479 181.2
[M+Na-2H]- 233.06561 151.6
[M]+ 212.09039 145.9
[M]- 212.09149 145.9
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.