CID 3033183

Brn 2274181

Structural Information

Molecular Formula
C14H14BrNO
SMILES
C/C(=C(/C)\C(=O)NCC#C)/C1=CC=C(C=C1)Br
InChI
InChI=1S/C14H14BrNO/c1-4-9-16-14(17)11(3)10(2)12-5-7-13(15)8-6-12/h1,5-8H,9H2,2-3H3,(H,16,17)/b11-10+
InChIKey
DMBAXHSTSULONF-ZHACJKMWSA-N
Compound name
(E)-3-(4-bromophenyl)-2-methyl-N-prop-2-ynylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.02588 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.03316 157.1
[M+Na]+ 314.01510 159.4
[M+NH4]+ 309.05970 158.0
[M+K]+ 329.98904 156.5
[M-H]- 290.01860 150.5
[M+Na-2H]- 312.00055 156.8
[M]+ 291.02533 153.6
[M]- 291.02643 153.6
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

No patent data available for this compound.