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

16
Patents

241.01022 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.017496 144.4
[M+Na]+ 263.999438 156.2
[M-H]- 240.002944 149.8
[M+NH4]+ 259.044043 165.8
[M+K]+ 279.973378 145.9
[M+H-H2O]+ 224.007480 145.1
[M+HCOO]- 286.008421 160.1
[M+CH3COO]- 300.024071 158.9
[M+Na-2H]- 261.984886 154.1
[M]+ 241.00967142 161.4
[M]- 241.01076858 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