CID 468938

127692-19-7

Structural Information

Molecular Formula
C9H13N3O4
SMILES
CC(C)OCC1CN2C=C(N=C2O1)[N+](=O)[O-]
InChI
InChI=1S/C9H13N3O4/c1-6(2)15-5-7-3-11-4-8(12(13)14)10-9(11)16-7/h4,6-7H,3,5H2,1-2H3
InChIKey
XRBPBOLVLSOSGX-UHFFFAOYSA-N
Compound name
6-nitro-2-(propan-2-yloxymethyl)-2,3-dihydroimidazo[2,1-b][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.0906 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.09788 148.7
[M+Na]+ 250.07982 155.9
[M-H]- 226.08332 151.7
[M+NH4]+ 245.12442 166.5
[M+K]+ 266.05376 152.5
[M+H-H2O]+ 210.08786 146.8
[M+HCOO]- 272.08880 170.1
[M+CH3COO]- 286.10445 183.5
[M+Na-2H]- 248.06527 154.3
[M]+ 227.09005 150.4
[M]- 227.09115 150.4
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.