CID 110235

Einecs 270-264-1

Structural Information

Molecular Formula
C15H36N4
SMILES
CCN(CC)CCNCCCNCCN(CC)CC
InChI
InChI=1S/C15H36N4/c1-5-18(6-2)14-12-16-10-9-11-17-13-15-19(7-3)8-4/h16-17H,5-15H2,1-4H3
InChIKey
DNLSJBVDVPAZJP-UHFFFAOYSA-N
Compound name
N,N'-bis[2-(diethylamino)ethyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

272.294 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.301276 175.3
[M+Na]+ 295.283218 175.6
[M-H]- 271.286724 176.5
[M+NH4]+ 290.327823 191.7
[M+K]+ 311.257158 175.8
[M+H-H2O]+ 255.291260 166.7
[M+HCOO]- 317.292201 201.0
[M+CH3COO]- 331.307851 221.0
[M+Na-2H]- 293.268666 176.8
[M]+ 272.29345142 179.2
[M]- 272.29454858 179.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe