CID 9816895

5-[(2-bromophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine

Structural Information

Molecular Formula
C10H11BrN2O2
SMILES
C1C(OC(=N1)N)COC2=CC=CC=C2Br
InChI
InChI=1S/C10H11BrN2O2/c11-8-3-1-2-4-9(8)14-6-7-5-13-10(12)15-7/h1-4,7H,5-6H2,(H2,12,13)
InChIKey
GUVAJKCAUCHQID-UHFFFAOYSA-N
Compound name
5-[(2-bromophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

21
Patents

270.0004 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.007676 152.1
[M+Na]+ 292.989618 163.1
[M-H]- 268.993124 160.3
[M+NH4]+ 288.034223 170.8
[M+K]+ 308.963558 153.2
[M+H-H2O]+ 252.997660 150.6
[M+HCOO]- 314.998601 173.2
[M+CH3COO]- 329.014251 193.2
[M+Na-2H]- 290.975066 158.2
[M]+ 269.99985142 170.7
[M]- 270.00094858 170.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe