CID 138005720

2241129-22-4

Structural Information

Molecular Formula
C12H14BrNO2
SMILES
C1COCCC12CNC3=C(O2)C=CC(=C3)Br
InChI
InChI=1S/C12H14BrNO2/c13-9-1-2-11-10(7-9)14-8-12(16-11)3-5-15-6-4-12/h1-2,7,14H,3-6,8H2
InChIKey
HNMYGYZCDDADST-UHFFFAOYSA-N
Compound name
6-bromospiro[3,4-dihydro-1,4-benzoxazine-2,4'-oxane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.02078 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.02806 156.2
[M+Na]+ 306.01000 159.6
[M+NH4]+ 301.05460 162.9
[M+K]+ 321.98394 157.7
[M-H]- 282.01350 160.1
[M+Na-2H]- 303.99545 159.2
[M]+ 283.02023 156.8
[M]- 283.02133 156.8
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.