CID 460739

6-nitrospiro[3h-imidazo[2,1-b]oxazole-2,1'-cyclopentane]

Structural Information

Molecular Formula
C9H11N3O3
SMILES
C1CCC2(C1)CN3C=C(N=C3O2)[N+](=O)[O-]
InChI
InChI=1S/C9H11N3O3/c13-12(14)7-5-11-6-9(3-1-2-4-9)15-8(11)10-7/h5H,1-4,6H2
InChIKey
WQYRVKRKRIFYFY-UHFFFAOYSA-N
Compound name
6-nitrospiro[3H-imidazo[2,1-b][1,3]oxazole-2,1'-cyclopentane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.08005 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.08733 143.8
[M+Na]+ 232.06927 151.0
[M-H]- 208.07277 149.0
[M+NH4]+ 227.11387 165.8
[M+K]+ 248.04321 146.9
[M+H-H2O]+ 192.07731 142.5
[M+HCOO]- 254.07825 165.2
[M+CH3COO]- 268.09390 176.8
[M+Na-2H]- 230.05472 150.2
[M]+ 209.07950 141.0
[M]- 209.08060 141.0
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.