CID 460732

73332-75-9

Structural Information

Molecular Formula
C6H7N3O3
SMILES
CC1CN2C=C(N=C2O1)[N+](=O)[O-]
InChI
InChI=1S/C6H7N3O3/c1-4-2-8-3-5(9(10)11)7-6(8)12-4/h3-4H,2H2,1H3
InChIKey
NUCGDAFGCCIOTC-UHFFFAOYSA-N
Compound name
2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

30
Patents

169.04874 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.05602 131.3
[M+Na]+ 192.03796 140.4
[M-H]- 168.04146 134.7
[M+NH4]+ 187.08256 151.7
[M+K]+ 208.01190 136.7
[M+H-H2O]+ 152.04600 130.0
[M+HCOO]- 214.04694 154.5
[M+CH3COO]- 228.06259 171.6
[M+Na-2H]- 190.02341 139.4
[M]+ 169.04819 131.3
[M]- 169.04929 131.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe