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

20
Patents

242.00548 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.01276 143.2
[M+Na]+ 264.99470 155.4
[M-H]- 240.99820 147.3
[M+NH4]+ 260.03930 163.2
[M+K]+ 280.96864 145.2
[M+H-H2O]+ 225.00274 143.2
[M+HCOO]- 287.00368 158.0
[M+CH3COO]- 301.01933 157.4
[M+Na-2H]- 262.98015 153.4
[M]+ 242.00493 160.4
[M]- 242.00603 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