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 162.1
[M+Na]+ 314.01510 173.1
[M-H]- 290.01860 164.9
[M+NH4]+ 309.05970 178.6
[M+K]+ 329.98904 159.9
[M+H-H2O]+ 274.02314 154.9
[M+HCOO]- 336.02408 177.9
[M+CH3COO]- 350.03973 207.4
[M+Na-2H]- 312.00055 163.4
[M]+ 291.02533 172.1
[M]- 291.02643 172.1
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.