CID 3064385

102071-92-1

Structural Information

Molecular Formula
C9H10BrNO3
SMILES
C1=CC=C(C(=C1)OCC(=O)C(N)O)Br
InChI
InChI=1S/C9H10BrNO3/c10-6-3-1-2-4-8(6)14-5-7(12)9(11)13/h1-4,9,13H,5,11H2
InChIKey
QNOGPVAORNNWPS-UHFFFAOYSA-N
Compound name
1-amino-3-(2-bromophenoxy)-1-hydroxypropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.9844 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.99168 148.2
[M+Na]+ 281.97362 157.5
[M-H]- 257.97712 152.4
[M+NH4]+ 277.01822 167.0
[M+K]+ 297.94756 146.7
[M+H-H2O]+ 241.98166 147.1
[M+HCOO]- 303.98260 167.7
[M+CH3COO]- 317.99825 191.1
[M+Na-2H]- 279.95907 152.6
[M]+ 258.98385 165.4
[M]- 258.98495 165.4
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

No patent data available for this compound.