CID 4282

121749-39-1

Structural Information

Molecular Formula
C13H32N4
SMILES
CCNCCCNCCCNCCCNCC
InChI
InChI=1S/C13H32N4/c1-3-14-8-5-10-16-12-7-13-17-11-6-9-15-4-2/h14-17H,3-13H2,1-2H3
InChIKey
UMJJGDUYVQCBMC-UHFFFAOYSA-N
Compound name
N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

137
References

8694
Patents

244.2627 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.26998 162.0
[M+Na]+ 267.25192 162.7
[M-H]- 243.25542 160.6
[M+NH4]+ 262.29652 178.1
[M+K]+ 283.22586 160.7
[M+H-H2O]+ 227.25996 154.1
[M+HCOO]- 289.26090 187.4
[M+CH3COO]- 303.27655 208.3
[M+Na-2H]- 265.23737 166.4
[M]+ 244.26215 162.6
[M]- 244.26325 162.6
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