CID 72494

127692-13-1

Structural Information

Molecular Formula
C7H9N3O3
SMILES
CCC1CN2C=C(N=C2O1)[N+](=O)[O-]
InChI
InChI=1S/C7H9N3O3/c1-2-5-3-9-4-6(10(11)12)8-7(9)13-5/h4-5H,2-3H2,1H3
InChIKey
AEKVVFWCBKEYSC-UHFFFAOYSA-N
Compound name
2-ethyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

9
Patents

183.06439 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.071666 136.2
[M+Na]+ 206.053608 144.8
[M-H]- 182.057114 139.4
[M+NH4]+ 201.098213 156.0
[M+K]+ 222.027548 140.9
[M+H-H2O]+ 166.061650 134.7
[M+HCOO]- 228.062591 159.1
[M+CH3COO]- 242.078241 174.7
[M+Na-2H]- 204.039056 143.7
[M]+ 183.06384142 136.5
[M]- 183.06493858 136.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe