CID 66922

2-butenyldiamine, n,n,n',n'-tetraethyl-

Structural Information

Molecular Formula
C12H26N2
SMILES
CCN(CC)CC=CCN(CC)CC
InChI
InChI=1S/C12H26N2/c1-5-13(6-2)11-9-10-12-14(7-3)8-4/h9-10H,5-8,11-12H2,1-4H3
InChIKey
GTSWSDCAOQCBEH-UHFFFAOYSA-N
Compound name
N,N,N',N'-tetraethylbut-2-ene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

22
Patents

198.2096 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.21688 153.8
[M+Na]+ 221.19882 157.5
[M-H]- 197.20232 155.9
[M+NH4]+ 216.24342 174.0
[M+K]+ 237.17276 157.8
[M+H-H2O]+ 181.20686 147.1
[M+HCOO]- 243.20780 178.8
[M+CH3COO]- 257.22345 200.6
[M+Na-2H]- 219.18427 156.5
[M]+ 198.20905 157.5
[M]- 198.21015 157.5
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