CID 43712518

2-amino-n-(5-bromo-2-methylphenyl)acetamide

Structural Information

Molecular Formula
C9H11BrN2O
SMILES
CC1=C(C=C(C=C1)Br)NC(=O)CN
InChI
InChI=1S/C9H11BrN2O/c1-6-2-3-7(10)4-8(6)12-9(13)5-11/h2-4H,5,11H2,1H3,(H,12,13)
InChIKey
QUDOYGLLTNTPSV-UHFFFAOYSA-N
Compound name
2-amino-N-(5-bromo-2-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.00548 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.012756 145.1
[M+Na]+ 264.994698 155.4
[M-H]- 240.998204 150.9
[M+NH4]+ 260.039303 165.4
[M+K]+ 280.968638 143.7
[M+H-H2O]+ 225.002740 143.7
[M+HCOO]- 287.003681 167.5
[M+CH3COO]- 301.019331 193.9
[M+Na-2H]- 262.980146 150.8
[M]+ 242.00493142 161.5
[M]- 242.00602858 161.5
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.