CID 3015772

N,n-dimethyl-n'-2-pyridylpropane-1,3-diamine

Structural Information

Molecular Formula
C10H17N3
SMILES
CN(C)CCCNC1=CC=CC=N1
InChI
InChI=1S/C10H17N3/c1-13(2)9-5-8-12-10-6-3-4-7-11-10/h3-4,6-7H,5,8-9H2,1-2H3,(H,11,12)
InChIKey
ATZQBNIEZZBOAJ-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-pyridin-2-ylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

179.14224 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.149516 140.8
[M+Na]+ 202.131458 146.2
[M-H]- 178.134964 144.0
[M+NH4]+ 197.176063 159.5
[M+K]+ 218.105398 145.2
[M+H-H2O]+ 162.139500 133.0
[M+HCOO]- 224.140441 166.3
[M+CH3COO]- 238.156091 190.2
[M+Na-2H]- 200.116906 148.5
[M]+ 179.14169142 141.4
[M]- 179.14278858 141.4
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

patents stripe