CID 12515073

N-methyl-(5-bromopyrid-3-yl)methylamine

Structural Information

Molecular Formula
C7H9BrN2
SMILES
CNCC1=CC(=CN=C1)Br
InChI
InChI=1S/C7H9BrN2/c1-9-3-6-2-7(8)5-10-4-6/h2,4-5,9H,3H2,1H3
InChIKey
UHDHQYPCHVXIKK-UHFFFAOYSA-N
Compound name
1-(5-bromopyridin-3-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

199.9949 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00218 132.3
[M+Na]+ 222.98412 143.7
[M-H]- 198.98762 137.4
[M+NH4]+ 218.02872 153.7
[M+K]+ 238.95806 132.8
[M+H-H2O]+ 182.99216 131.6
[M+HCOO]- 244.99310 154.7
[M+CH3COO]- 259.00875 184.3
[M+Na-2H]- 220.96957 142.2
[M]+ 199.99435 150.2
[M]- 199.99545 150.2
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