CID 77629

1,2-ethanediamine, n,n'-dibutyl-

Structural Information

Molecular Formula
C10H24N2
SMILES
CCCCNCCNCCCC
InChI
InChI=1S/C10H24N2/c1-3-5-7-11-9-10-12-8-6-4-2/h11-12H,3-10H2,1-2H3
InChIKey
YRGVKPIUZUOJSJ-UHFFFAOYSA-N
Compound name
N,N'-dibutylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

950
Patents

172.19395 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.201226 144.6
[M+Na]+ 195.183168 148.3
[M-H]- 171.186674 144.0
[M+NH4]+ 190.227773 164.5
[M+K]+ 211.157108 147.0
[M+H-H2O]+ 155.191210 138.5
[M+HCOO]- 217.192151 169.0
[M+CH3COO]- 231.207801 189.1
[M+Na-2H]- 193.168616 149.9
[M]+ 172.19340142 145.7
[M]- 172.19449858 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe