CID 460740

127692-25-5

Structural Information

Molecular Formula
C11H15N3O3
SMILES
CC1CCC2(CC1)CN3C=C(N=C3O2)[N+](=O)[O-]
InChI
InChI=1S/C11H15N3O3/c1-8-2-4-11(5-3-8)7-13-6-9(14(15)16)12-10(13)17-11/h6,8H,2-5,7H2,1H3
InChIKey
WVNULYYTNZHAKU-UHFFFAOYSA-N
Compound name
4'-methyl-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

237.11134 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.11862 151.3
[M+Na]+ 260.10056 157.9
[M-H]- 236.10406 155.9
[M+NH4]+ 255.14516 170.8
[M+K]+ 276.07450 152.8
[M+H-H2O]+ 220.10860 149.1
[M+HCOO]- 282.10954 169.9
[M+CH3COO]- 296.12519 183.4
[M+Na-2H]- 258.08601 157.5
[M]+ 237.11079 147.4
[M]- 237.11189 147.4
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.