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]+ 270.01241 152.2
[M+Na]+ 291.99435 161.6
[M-H]- 267.99785 156.7
[M+NH4]+ 287.03895 171.2
[M+K]+ 307.96829 149.2
[M+H-H2O]+ 252.00239 151.3
[M+HCOO]- 314.00333 172.7
[M+CH3COO]- 328.01898 192.4
[M+Na-2H]- 289.97980 157.9
[M]+ 269.00458 169.6
[M]- 269.00568 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.