CID 460741

127692-24-4

Structural Information

Molecular Formula
C10H13N3O3
SMILES
C1CCC2(CC1)CN3C=C(N=C3O2)[N+](=O)[O-]
InChI
InChI=1S/C10H13N3O3/c14-13(15)8-6-12-7-10(16-9(12)11-8)4-2-1-3-5-10/h6H,1-5,7H2
InChIKey
LWGZQFMDSZYGQM-UHFFFAOYSA-N
Compound name
6-nitrospiro[3H-imidazo[2,1-b][1,3]oxazole-2,1'-cyclohexane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.09569 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10297 146.6
[M+Na]+ 246.08491 152.7
[M-H]- 222.08841 151.0
[M+NH4]+ 241.12951 166.3
[M+K]+ 262.05885 147.9
[M+H-H2O]+ 206.09295 144.2
[M+HCOO]- 268.09389 165.5
[M+CH3COO]- 282.10954 179.3
[M+Na-2H]- 244.07036 153.9
[M]+ 223.09514 141.9
[M]- 223.09624 141.9
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.