CID 5369081

N,n'-diethylbut-2-enylenediamine

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

434
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 134.5
[M+Na]+ 165.13622 139.4
[M-H]- 141.13972 134.3
[M+NH4]+ 160.18082 155.6
[M+K]+ 181.11016 138.0
[M+H-H2O]+ 125.14426 128.9
[M+HCOO]- 187.14520 159.8
[M+CH3COO]- 201.16085 181.4
[M+Na-2H]- 163.12167 140.9
[M]+ 142.14645 134.1
[M]- 142.14755 134.1
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