CID 474514

2-nitro-6,7-dihydro-5h-imidazo[2,1-b][1,3]oxazine

Structural Information

Molecular Formula
C6H7N3O3
SMILES
C1CN2C=C(N=C2OC1)[N+](=O)[O-]
InChI
InChI=1S/C6H7N3O3/c10-9(11)5-4-8-2-1-3-12-6(8)7-5/h4H,1-3H2
InChIKey
ZEGUPFJCBHZZBW-UHFFFAOYSA-N
Compound name
2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

169.04874 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.05602 129.7
[M+Na]+ 192.03796 137.1
[M-H]- 168.04146 132.2
[M+NH4]+ 187.08256 147.9
[M+K]+ 208.01190 133.2
[M+H-H2O]+ 152.04600 127.4
[M+HCOO]- 214.04694 150.8
[M+CH3COO]- 228.06259 170.4
[M+Na-2H]- 190.02341 139.8
[M]+ 169.04819 127.2
[M]- 169.04929 127.2
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

patents stripe