CID 88062

N,n'-diethylbutane-1,4-diamine

Structural Information

Molecular Formula
C8H20N2
SMILES
CCNCCCCNCC
InChI
InChI=1S/C8H20N2/c1-3-9-7-5-6-8-10-4-2/h9-10H,3-8H2,1-2H3
InChIKey
WHDUKLPCKZTPFY-UHFFFAOYSA-N
Compound name
N,N'-diethylbutane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1043
Patents

144.16264 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.169916 135.6
[M+Na]+ 167.151858 140.2
[M-H]- 143.155364 135.4
[M+NH4]+ 162.196463 156.6
[M+K]+ 183.125798 139.4
[M+H-H2O]+ 127.159900 129.9
[M+HCOO]- 189.160841 160.7
[M+CH3COO]- 203.176491 183.0
[M+Na-2H]- 165.137306 142.0
[M]+ 144.16209142 136.0
[M]- 144.16318858 136.0
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