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-bromopyridin-2-yl)-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]+ 244.04439 145.0
[M+Na]+ 266.02633 154.8
[M-H]- 242.02983 151.0
[M+NH4]+ 261.07093 164.9
[M+K]+ 282.00027 144.3
[M+H-H2O]+ 226.03437 142.8
[M+HCOO]- 288.03531 168.1
[M+CH3COO]- 302.05096 197.8
[M+Na-2H]- 264.01178 153.3
[M]+ 243.03656 164.0
[M]- 243.03766 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