CID 3033175

60548-29-0

Structural Information

Molecular Formula
C14H16BrNO
SMILES
C/C(=C(/C)\C(=O)NC1CC1)/C2=CC=C(C=C2)Br
InChI
InChI=1S/C14H16BrNO/c1-9(11-3-5-12(15)6-4-11)10(2)14(17)16-13-7-8-13/h3-6,13H,7-8H2,1-2H3,(H,16,17)/b10-9+
InChIKey
HBVSUMMDBHAAQS-MDZDMXLPSA-N
Compound name
(E)-3-(4-bromophenyl)-N-cyclopropyl-2-methylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

293.04153 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.04881 158.6
[M+Na]+ 316.03075 168.8
[M-H]- 292.03425 168.0
[M+NH4]+ 311.07535 172.9
[M+K]+ 332.00469 156.4
[M+H-H2O]+ 276.03879 157.1
[M+HCOO]- 338.03973 178.4
[M+CH3COO]- 352.05538 204.0
[M+Na-2H]- 314.01620 161.8
[M]+ 293.04098 176.8
[M]- 293.04208 176.8
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.