CID 86729300

N-[(5-bromopyridin-2-yl)methyl]acetamide

Structural Information

Molecular Formula
C8H9BrN2O
SMILES
CC(=O)NCC1=NC=C(C=C1)Br
InChI
InChI=1S/C8H9BrN2O/c1-6(12)10-5-8-3-2-7(9)4-11-8/h2-4H,5H2,1H3,(H,10,12)
InChIKey
SVVYOYXJGJXAPS-UHFFFAOYSA-N
Compound name
N-[(5-bromopyridin-2-yl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

227.98982 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.99710 139.0
[M+Na]+ 250.97904 150.0
[M-H]- 226.98254 144.1
[M+NH4]+ 246.02364 159.2
[M+K]+ 266.95298 139.2
[M+H-H2O]+ 210.98708 138.0
[M+HCOO]- 272.98802 160.5
[M+CH3COO]- 287.00367 188.3
[M+Na-2H]- 248.96449 147.2
[M]+ 227.98927 157.3
[M]- 227.99037 157.3
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

patents stripe