CID 67105

N,n'-diethylethylenediamine

Structural Information

Molecular Formula
C6H16N2
SMILES
CCNCCNCC
InChI
InChI=1S/C6H16N2/c1-3-7-5-6-8-4-2/h7-8H,3-6H2,1-2H3
InChIKey
CJKRXEBLWJVYJD-UHFFFAOYSA-N
Compound name
N,N'-diethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

37526
Patents

116.13135 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.13863 126.6
[M+Na]+ 139.12057 132.0
[M-H]- 115.12407 126.7
[M+NH4]+ 134.16517 148.7
[M+K]+ 155.09451 131.7
[M+H-H2O]+ 99.128610 121.3
[M+HCOO]- 161.12955 152.3
[M+CH3COO]- 175.14520 176.9
[M+Na-2H]- 137.10602 134.0
[M]+ 116.13080 126.2
[M]- 116.13190 126.2
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