CID 75480621

2-bromo-n-methyl-3-phenylpropanamide

Structural Information

Molecular Formula
C10H12BrNO
SMILES
CNC(=O)C(CC1=CC=CC=C1)Br
InChI
InChI=1S/C10H12BrNO/c1-12-10(13)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,12,13)
InChIKey
GJWKSNUMCGDMIC-UHFFFAOYSA-N
Compound name
2-bromo-N-methyl-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.01022 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.01750 146.9
[M+Na]+ 263.99944 155.9
[M-H]- 240.00294 152.7
[M+NH4]+ 259.04404 167.4
[M+K]+ 279.97338 145.1
[M+H-H2O]+ 224.00748 146.1
[M+HCOO]- 286.00842 167.9
[M+CH3COO]- 300.02407 191.3
[M+Na-2H]- 261.98489 153.1
[M]+ 241.00967 164.3
[M]- 241.01077 164.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.