CID 124705958

2059942-49-1

Structural Information

Molecular Formula
C9H13BrN2O2
SMILES
COC(CN)(C1=CC(=CN=C1)Br)OC
InChI
InChI=1S/C9H13BrN2O2/c1-13-9(6-11,14-2)7-3-8(10)5-12-4-7/h3-5H,6,11H2,1-2H3
InChIKey
WZWAEECVCPKGLG-UHFFFAOYSA-N
Compound name
2-(5-bromopyridin-3-yl)-2,2-dimethoxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.01605 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.02333 149.0
[M+Na]+ 283.00527 159.7
[M-H]- 259.00877 153.5
[M+NH4]+ 278.04987 167.8
[M+K]+ 298.97921 149.2
[M+H-H2O]+ 243.01331 147.9
[M+HCOO]- 305.01425 169.0
[M+CH3COO]- 319.02990 193.5
[M+Na-2H]- 280.99072 157.3
[M]+ 260.01550 168.8
[M]- 260.01660 168.8
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.