CID 28477791

N5-propylpyridine-2,5-diamine

Structural Information

Molecular Formula
C8H13N3
SMILES
CCCNC1=CN=C(C=C1)N
InChI
InChI=1S/C8H13N3/c1-2-5-10-7-3-4-8(9)11-6-7/h3-4,6,10H,2,5H2,1H3,(H2,9,11)
InChIKey
OHTLPJBHHDJKFK-UHFFFAOYSA-N
Compound name
5-N-propylpyridine-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.11095 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.118226 131.8
[M+Na]+ 174.100168 138.9
[M-H]- 150.103674 133.7
[M+NH4]+ 169.144773 151.0
[M+K]+ 190.074108 136.6
[M+H-H2O]+ 134.108210 124.9
[M+HCOO]- 196.109151 156.8
[M+CH3COO]- 210.124801 181.1
[M+Na-2H]- 172.085616 139.5
[M]+ 151.11040142 129.7
[M]- 151.11149858 129.7
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.