CID 28902304

N4-(pentan-3-yl)pyridine-3,4-diamine

Structural Information

Molecular Formula
C10H17N3
SMILES
CCC(CC)NC1=C(C=NC=C1)N
InChI
InChI=1S/C10H17N3/c1-3-8(4-2)13-10-5-6-12-7-9(10)11/h5-8H,3-4,11H2,1-2H3,(H,12,13)
InChIKey
HDNCIJPBJGEGIY-UHFFFAOYSA-N
Compound name
4-N-pentan-3-ylpyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.14224 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.149516 141.7
[M+Na]+ 202.131458 147.7
[M-H]- 178.134964 143.4
[M+NH4]+ 197.176063 159.8
[M+K]+ 218.105398 145.5
[M+H-H2O]+ 162.139500 134.5
[M+HCOO]- 224.140441 165.1
[M+CH3COO]- 238.156091 188.1
[M+Na-2H]- 200.116906 147.1
[M]+ 179.14169142 139.8
[M]- 179.14278858 139.8
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.