CID 58064677

1201684-80-1

Structural Information

Molecular Formula
C10H12BrNO
SMILES
CC1(CNC2=C(O1)C=C(C=C2)Br)C
InChI
InChI=1S/C10H12BrNO/c1-10(2)6-12-8-4-3-7(11)5-9(8)13-10/h3-5,12H,6H2,1-2H3
InChIKey
LMUSYROBIBYVFQ-UHFFFAOYSA-N
Compound name
7-bromo-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

241.01022 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.01750 144.4
[M+Na]+ 263.99944 156.2
[M-H]- 240.00294 149.8
[M+NH4]+ 259.04404 165.8
[M+K]+ 279.97338 145.9
[M+H-H2O]+ 224.00748 145.1
[M+HCOO]- 286.00842 160.1
[M+CH3COO]- 300.02407 158.9
[M+Na-2H]- 261.98489 154.1
[M]+ 241.00967 161.4
[M]- 241.01077 161.4
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