CID 10705422

199522-78-6

Structural Information

Molecular Formula
C9H14BrN3
SMILES
C1=CC(=NC=C1Br)NCCCCN
InChI
InChI=1S/C9H14BrN3/c10-8-3-4-9(13-7-8)12-6-2-1-5-11/h3-4,7H,1-2,5-6,11H2,(H,12,13)
InChIKey
VKFSFYVDNIXBMQ-UHFFFAOYSA-N
Compound name
N'-(5-bromopyridin-2-yl)butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.03711 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.04439 145.2
[M+Na]+ 266.02633 154.7
[M-H]- 242.02983 149.2
[M+NH4]+ 261.07093 164.2
[M+K]+ 282.00027 142.6
[M+H-H2O]+ 226.03437 143.1
[M+HCOO]- 288.03531 167.1
[M+CH3COO]- 302.05096 193.9
[M+Na-2H]- 264.01178 153.1
[M]+ 243.03656 161.9
[M]- 243.03766 161.9
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.