CID 16070

2-[bis(2-aminoethyl)amino]ethanol

Structural Information

Molecular Formula
C6H17N3O
SMILES
C(CN(CCN)CCO)N
InChI
InChI=1S/C6H17N3O/c7-1-3-9(4-2-8)5-6-10/h10H,1-8H2
InChIKey
WUXYGKZSOBYDPP-UHFFFAOYSA-N
Compound name
2-[bis(2-aminoethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

494
Patents

147.13716 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.144436 133.7
[M+Na]+ 170.126378 138.1
[M-H]- 146.129884 132.7
[M+NH4]+ 165.170983 153.5
[M+K]+ 186.100318 137.9
[M+H-H2O]+ 130.134420 127.6
[M+HCOO]- 192.135361 158.4
[M+CH3COO]- 206.151011 183.5
[M+Na-2H]- 168.111826 137.9
[M]+ 147.13661142 131.2
[M]- 147.13770858 131.2
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