CID 102545118

(6-bromo-4-methylpyridin-3-yl)methanamine

Structural Information

Molecular Formula
C7H9BrN2
SMILES
CC1=CC(=NC=C1CN)Br
InChI
InChI=1S/C7H9BrN2/c1-5-2-7(8)10-4-6(5)3-9/h2,4H,3,9H2,1H3
InChIKey
UPOLYLOCDJGQHK-UHFFFAOYSA-N
Compound name
(6-bromo-4-methylpyridin-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.9949 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00218 133.0
[M+Na]+ 222.98412 145.3
[M-H]- 198.98762 138.0
[M+NH4]+ 218.02872 154.4
[M+K]+ 238.95806 134.0
[M+H-H2O]+ 182.99216 132.5
[M+HCOO]- 244.99310 154.7
[M+CH3COO]- 259.00875 184.7
[M+Na-2H]- 220.96957 141.1
[M]+ 199.99435 150.3
[M]- 199.99545 150.3
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

No patent data available for this compound.