CID 165742075

2751616-12-1

Structural Information

Molecular Formula
C9H11BrN2O3
SMILES
CCOC(=O)C1=C2COCCN2C(=N1)Br
InChI
InChI=1S/C9H11BrN2O3/c1-2-15-8(13)7-6-5-14-4-3-12(6)9(10)11-7/h2-5H2,1H3
InChIKey
MCWFLZBLBNUDFN-UHFFFAOYSA-N
Compound name
ethyl 3-bromo-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.9953 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.00258 152.0
[M+Na]+ 296.98452 163.5
[M-H]- 272.98802 157.1
[M+NH4]+ 292.02912 171.0
[M+K]+ 312.95846 155.0
[M+H-H2O]+ 256.99256 151.4
[M+HCOO]- 318.99350 168.5
[M+CH3COO]- 333.00915 192.4
[M+Na-2H]- 294.96997 157.8
[M]+ 273.99475 172.4
[M]- 273.99585 172.4
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.