CID 5369081

N,n'-diethyl-2-butene-1,4-diamine

Structural Information

Molecular Formula
C8H18N2
SMILES
CCNC/C=C/CNCC
InChI
InChI=1S/C8H18N2/c1-3-9-7-5-6-8-10-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3/b6-5+
InChIKey
YWWSWEIXJXYQJB-AATRIKPKSA-N
Compound name
(E)-N,N'-diethylbut-2-ene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

374
Patents

142.147 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.15428 134.0
[M+Na]+ 165.13622 142.6
[M+NH4]+ 160.18082 141.8
[M+K]+ 181.11016 135.9
[M-H]- 141.13972 134.8
[M+Na-2H]- 163.12167 137.9
[M]+ 142.14645 135.1
[M]- 142.14755 135.1
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