CID 6434363

43196-15-2

Structural Information

Molecular Formula
C11H12BrNO2
SMILES
C1=CC(=CC(=C1)Br)/C=C/C(=O)NCCO
InChI
InChI=1S/C11H12BrNO2/c12-10-3-1-2-9(8-10)4-5-11(15)13-6-7-14/h1-5,8,14H,6-7H2,(H,13,15)/b5-4+
InChIKey
MKVUMUJVKGTTEA-SNAWJCMRSA-N
Compound name
(E)-3-(3-bromophenyl)-N-(2-hydroxyethyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.00513 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.012406 152.2
[M+Na]+ 291.994348 161.6
[M-H]- 267.997854 156.7
[M+NH4]+ 287.038953 171.2
[M+K]+ 307.968288 149.2
[M+H-H2O]+ 252.002390 151.3
[M+HCOO]- 314.003331 172.7
[M+CH3COO]- 328.018981 192.4
[M+Na-2H]- 289.979796 157.9
[M]+ 269.00458142 169.6
[M]- 269.00567858 169.6
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.