CID 160198

31295-46-2

Structural Information

Molecular Formula
C8H23N5
SMILES
C(CNCCN(CCN)CCN)N
InChI
InChI=1S/C8H23N5/c9-1-4-12-5-8-13(6-2-10)7-3-11/h12H,1-11H2
InChIKey
ZORWGXDYTKQJQG-UHFFFAOYSA-N
Compound name
N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

633
Patents

189.19534 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.20262 143.7
[M+Na]+ 212.18456 145.9
[M-H]- 188.18806 143.2
[M+NH4]+ 207.22916 161.4
[M+K]+ 228.15850 145.7
[M+H-H2O]+ 172.19260 136.0
[M+HCOO]- 234.19354 170.3
[M+CH3COO]- 248.20919 200.0
[M+Na-2H]- 210.17001 147.0
[M]+ 189.19479 139.8
[M]- 189.19589 139.8
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