CID 688145

Cinromide

Structural Information

Molecular Formula
C11H12BrNO
SMILES
CCNC(=O)/C=C/C1=CC(=CC=C1)Br
InChI
InChI=1S/C11H12BrNO/c1-2-13-11(14)7-6-9-4-3-5-10(12)8-9/h3-8H,2H2,1H3,(H,13,14)/b7-6+
InChIKey
LDCXGZCEMNMWIL-VOTSOKGWSA-N
Compound name
(E)-3-(3-bromophenyl)-N-ethylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

32
References

1509
Patents

253.01022 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.01750 148.2
[M+Na]+ 275.99944 150.7
[M+NH4]+ 271.04404 152.5
[M+K]+ 291.97338 150.0
[M-H]- 252.00294 148.9
[M+Na-2H]- 273.98489 151.4
[M]+ 253.00967 147.4
[M]- 253.01077 147.4
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