CID 59277579

894852-03-0

Structural Information

Molecular Formula
C9H11BrN2O
SMILES
CC1(CNC2=C(O1)C=C(C=N2)Br)C
InChI
InChI=1S/C9H11BrN2O/c1-9(2)5-12-8-7(13-9)3-6(10)4-11-8/h3-4H,5H2,1-2H3,(H,11,12)
InChIKey
XJUYXPBVUKUTAO-UHFFFAOYSA-N
Compound name
7-bromo-2,2-dimethyl-3,4-dihydropyrido[3,2-b][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

242.00548 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.012756 143.2
[M+Na]+ 264.994698 155.4
[M-H]- 240.998204 147.3
[M+NH4]+ 260.039303 163.2
[M+K]+ 280.968638 145.2
[M+H-H2O]+ 225.002740 143.2
[M+HCOO]- 287.003681 158.0
[M+CH3COO]- 301.019331 157.4
[M+Na-2H]- 262.980146 153.4
[M]+ 242.00493142 160.4
[M]- 242.00602858 160.4
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

patents stripe