CID 3803041

26163-07-5

Structural Information

Molecular Formula
C7H9BrN2
SMILES
CN(C)C1=NC=C(C=C1)Br
InChI
InChI=1S/C7H9BrN2/c1-10(2)7-4-3-6(8)5-9-7/h3-5H,1-2H3
InChIKey
XIMCGXXYEMOWQP-UHFFFAOYSA-N
Compound name
5-bromo-N,N-dimethylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

462
Patents

199.9949 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.002176 132.0
[M+Na]+ 222.984118 143.7
[M-H]- 198.987624 138.6
[M+NH4]+ 218.028723 154.1
[M+K]+ 238.958058 134.1
[M+H-H2O]+ 182.992160 131.3
[M+HCOO]- 244.993101 154.9
[M+CH3COO]- 259.008751 187.6
[M+Na-2H]- 220.969566 141.3
[M]+ 199.99435142 151.2
[M]- 199.99544858 151.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe