CID 71299222

5-bromo-3-n-cyclopentylpyridine-2,3-diamine

Structural Information

Molecular Formula
C10H14BrN3
SMILES
C1CCC(C1)NC2=C(N=CC(=C2)Br)N
InChI
InChI=1S/C10H14BrN3/c11-7-5-9(10(12)13-6-7)14-8-3-1-2-4-8/h5-6,8,14H,1-4H2,(H2,12,13)
InChIKey
RYIQTTKYLSTGCB-UHFFFAOYSA-N
Compound name
5-bromo-3-N-cyclopentylpyridine-2,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.03711 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.04439 150.4
[M+Na]+ 278.02633 159.8
[M-H]- 254.02983 157.6
[M+NH4]+ 273.07093 170.5
[M+K]+ 294.00027 147.8
[M+H-H2O]+ 238.03437 148.4
[M+HCOO]- 300.03531 171.6
[M+CH3COO]- 314.05096 194.3
[M+Na-2H]- 276.01178 155.3
[M]+ 255.03656 163.7
[M]- 255.03766 163.7
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.