CID 468940

2-nitro-4a,5,6,7,8,8a-hexahydroimidazo[2,1-b][1,3]benzoxazole

Structural Information

Molecular Formula
C9H11N3O3
SMILES
C1CCC2C(C1)N3C=C(N=C3O2)[N+](=O)[O-]
InChI
InChI=1S/C9H11N3O3/c13-12(14)8-5-11-6-3-1-2-4-7(6)15-9(11)10-8/h5-7H,1-4H2
InChIKey
NDUDOTHIQDWFKL-UHFFFAOYSA-N
Compound name
2-nitro-4a,5,6,7,8,8a-hexahydroimidazo[2,1-b][1,3]benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.08005 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.08733 141.9
[M+Na]+ 232.06927 148.7
[M-H]- 208.07277 145.3
[M+NH4]+ 227.11387 161.3
[M+K]+ 248.04321 144.0
[M+H-H2O]+ 192.07731 140.0
[M+HCOO]- 254.07825 161.0
[M+CH3COO]- 268.09390 179.1
[M+Na-2H]- 230.05472 149.0
[M]+ 209.07950 139.0
[M]- 209.08060 139.0
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.