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
4
Annotation Hits

32
References

1571
Patents

253.01022 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.017496 148.8
[M+Na]+ 275.999438 158.9
[M-H]- 252.002944 154.8
[M+NH4]+ 271.044043 169.2
[M+K]+ 291.973378 146.9
[M+H-H2O]+ 236.007480 148.0
[M+HCOO]- 298.008421 170.6
[M+CH3COO]- 312.024071 192.9
[M+Na-2H]- 273.984886 155.1
[M]+ 253.00967142 166.7
[M]- 253.01076858 166.7
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