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-bromo-3-pyridinyl)-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]+ 261.023326 149.0
[M+Na]+ 283.005268 159.7
[M-H]- 259.008774 153.5
[M+NH4]+ 278.049873 167.8
[M+K]+ 298.979208 149.2
[M+H-H2O]+ 243.013310 147.9
[M+HCOO]- 305.014251 169.0
[M+CH3COO]- 319.029901 193.5
[M+Na-2H]- 280.990716 157.3
[M]+ 260.01550142 168.8
[M]- 260.01659858 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.