CID 23250506

5-bromo-n,n,4,6-tetramethylpyridin-2-amine

Structural Information

Molecular Formula
C9H13BrN2
SMILES
CC1=CC(=NC(=C1Br)C)N(C)C
InChI
InChI=1S/C9H13BrN2/c1-6-5-8(12(3)4)11-7(2)9(6)10/h5H,1-4H3
InChIKey
CISMTWZQYSPXPU-UHFFFAOYSA-N
Compound name
5-bromo-N,N,4,6-tetramethylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

228.02621 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.033486 140.2
[M+Na]+ 251.015428 152.8
[M-H]- 227.018934 147.2
[M+NH4]+ 246.060033 161.8
[M+K]+ 266.989368 142.7
[M+H-H2O]+ 211.023470 139.4
[M+HCOO]- 273.024411 162.4
[M+CH3COO]- 287.040061 195.4
[M+Na-2H]- 249.000876 147.1
[M]+ 228.02566142 160.7
[M]- 228.02675858 160.7
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