CID 30052087

112357-06-9

Structural Information

Molecular Formula
C9H14BrN3
SMILES
CN(C)CCNC1=NC=C(C=C1)Br
InChI
InChI=1S/C9H14BrN3/c1-13(2)6-5-11-9-4-3-8(10)7-12-9/h3-4,7H,5-6H2,1-2H3,(H,11,12)
InChIKey
YZNKVSIFLBFINU-UHFFFAOYSA-N
Compound name
N-(5-bromo-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

243.03711 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.044386 145.0
[M+Na]+ 266.026328 154.8
[M-H]- 242.029834 151.0
[M+NH4]+ 261.070933 164.9
[M+K]+ 282.000268 144.3
[M+H-H2O]+ 226.034370 142.8
[M+HCOO]- 288.035311 168.1
[M+CH3COO]- 302.050961 197.8
[M+Na-2H]- 264.011776 153.3
[M]+ 243.03656142 164.0
[M]- 243.03765858 164.0
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