CID 28065417

3-bromo-n-(3-methyl-2-pyridinyl)propanamide

Structural Information

Molecular Formula
C9H11BrN2O
SMILES
CC1=C(N=CC=C1)NC(=O)CCBr
InChI
InChI=1S/C9H11BrN2O/c1-7-3-2-6-11-9(7)12-8(13)4-5-10/h2-3,6H,4-5H2,1H3,(H,11,12,13)
InChIKey
FGMNSXILPANIPY-UHFFFAOYSA-N
Compound name
3-bromo-N-(3-methyl-2-pyridinyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.00548 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.012756 143.6
[M+Na]+ 264.994698 154.2
[M-H]- 240.998204 148.5
[M+NH4]+ 260.039303 163.3
[M+K]+ 280.968638 143.1
[M+H-H2O]+ 225.002740 142.4
[M+HCOO]- 287.003681 164.8
[M+CH3COO]- 301.019331 191.2
[M+Na-2H]- 262.980146 151.2
[M]+ 242.00493142 162.2
[M]- 242.00602858 162.2
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.