CID 28065417

887708-47-6

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 144.9
[M+Na]+ 264.99470 147.5
[M+NH4]+ 260.03930 149.0
[M+K]+ 280.96864 147.5
[M-H]- 240.99820 145.1
[M+Na-2H]- 262.98015 148.3
[M]+ 242.00493 144.0
[M]- 242.00603 144.0
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.