CID 430288

N-methyl-2,2'-diaminodiethylamine

Structural Information

Molecular Formula
C5H15N3
SMILES
CN(CCN)CCN
InChI
InChI=1S/C5H15N3/c1-8(4-2-6)5-3-7/h2-7H2,1H3
InChIKey
HYSQEYLBJYFNMH-UHFFFAOYSA-N
Compound name
N'-(2-aminoethyl)-N'-methylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2043
Patents

117.126595 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.133871 126.5
[M+Na]+ 140.115813 131.7
[M-H]- 116.119319 127.1
[M+NH4]+ 135.160418 148.3
[M+K]+ 156.089753 132.3
[M+H-H2O]+ 100.123855 120.6
[M+HCOO]- 162.124796 152.8
[M+CH3COO]- 176.140446 180.9
[M+Na-2H]- 138.101261 131.7
[M]+ 117.12604642 124.1
[M]- 117.12714358 124.1
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