CID 81758951

3-bromo-n-(pentan-3-yl)pyridin-4-amine

Structural Information

Molecular Formula
C10H15BrN2
SMILES
CCC(CC)NC1=C(C=NC=C1)Br
InChI
InChI=1S/C10H15BrN2/c1-3-8(4-2)13-10-5-6-12-7-9(10)11/h5-8H,3-4H2,1-2H3,(H,12,13)
InChIKey
YXCRACAPFDHRLG-UHFFFAOYSA-N
Compound name
3-bromo-N-pentan-3-ylpyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.04185 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.04913 146.9
[M+Na]+ 265.03107 156.8
[M-H]- 241.03457 151.6
[M+NH4]+ 260.07567 166.6
[M+K]+ 281.00501 145.6
[M+H-H2O]+ 225.03911 145.6
[M+HCOO]- 287.04005 167.3
[M+CH3COO]- 301.05570 193.6
[M+Na-2H]- 263.01652 153.9
[M]+ 242.04130 165.2
[M]- 242.04240 165.2
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

No patent data available for this compound.