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-methylpyridin-2-yl)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]+ 243.01276 143.6
[M+Na]+ 264.99470 154.2
[M-H]- 240.99820 148.5
[M+NH4]+ 260.03930 163.3
[M+K]+ 280.96864 143.1
[M+H-H2O]+ 225.00274 142.4
[M+HCOO]- 287.00368 164.8
[M+CH3COO]- 301.01933 191.2
[M+Na-2H]- 262.98015 151.2
[M]+ 242.00493 162.2
[M]- 242.00603 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.