CID 202962

13591-48-5

Structural Information

Molecular Formula
C6H11BrN2O3
SMILES
CCN1CC(COC1)([N+](=O)[O-])Br
InChI
InChI=1S/C6H11BrN2O3/c1-2-8-3-6(7,9(10)11)4-12-5-8/h2-5H2,1H3
InChIKey
OSQWKYQNMKLJJM-UHFFFAOYSA-N
Compound name
5-bromo-3-ethyl-5-nitro-1,3-oxazinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.9953 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.00258 142.1
[M+Na]+ 260.98452 151.5
[M-H]- 236.98802 147.4
[M+NH4]+ 256.02912 161.9
[M+K]+ 276.95846 139.7
[M+H-H2O]+ 220.99256 146.6
[M+HCOO]- 282.99350 160.3
[M+CH3COO]- 297.00915 180.8
[M+Na-2H]- 258.96997 152.3
[M]+ 237.99475 158.4
[M]- 237.99585 158.4
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.