CID 468934

73332-79-3

Structural Information

Molecular Formula
C6H7N3O3
SMILES
CC1CN2C(=CN=C2O1)[N+](=O)[O-]
InChI
InChI=1S/C6H7N3O3/c1-4-3-8-5(9(10)11)2-7-6(8)12-4/h2,4H,3H2,1H3
InChIKey
WXPYBUNRDDNOHK-UHFFFAOYSA-N
Compound name
2-methyl-5-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

169.04874 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.05602 131.3
[M+Na]+ 192.03796 140.4
[M-H]- 168.04146 134.7
[M+NH4]+ 187.08256 151.7
[M+K]+ 208.01190 136.7
[M+H-H2O]+ 152.04600 130.0
[M+HCOO]- 214.04694 154.5
[M+CH3COO]- 228.06259 171.6
[M+Na-2H]- 190.02341 139.4
[M]+ 169.04819 131.3
[M]- 169.04929 131.3
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

No patent data available for this compound.