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 157.1
[M+Na]+ 306.01000 165.8
[M-H]- 282.01350 163.8
[M+NH4]+ 301.05460 174.9
[M+K]+ 321.98394 157.0
[M+H-H2O]+ 266.01804 156.5
[M+HCOO]- 328.01898 168.5
[M+CH3COO]- 342.03463 169.5
[M+Na-2H]- 303.99545 166.4
[M]+ 283.02023 170.5
[M]- 283.02133 170.5
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.