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
1
Annotation Hits

0
References

1032
Patents

144.16264 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.16992 135.6
[M+Na]+ 167.15186 140.2
[M-H]- 143.15536 135.4
[M+NH4]+ 162.19646 156.6
[M+K]+ 183.12580 139.4
[M+H-H2O]+ 127.15990 129.9
[M+HCOO]- 189.16084 160.7
[M+CH3COO]- 203.17649 183.0
[M+Na-2H]- 165.13731 142.0
[M]+ 144.16209 136.0
[M]- 144.16319 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