CID 78590

1,3-propanediamine, n,n''-1,2-ethanediylbis(n-(3-aminopropyl)-

Structural Information

Molecular Formula
C14H36N6
SMILES
C(CN)CN(CCCN)CCN(CCCN)CCCN
InChI
InChI=1S/C14H36N6/c15-5-1-9-19(10-2-6-16)13-14-20(11-3-7-17)12-4-8-18/h1-18H2
InChIKey
PJOLOHMGBICKJH-UHFFFAOYSA-N
Compound name
N'-(3-aminopropyl)-N'-[2-[bis(3-aminopropyl)amino]ethyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

380
Patents

288.30014 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.30742 172.3
[M+Na]+ 311.28936 171.5
[M-H]- 287.29286 171.7
[M+NH4]+ 306.33396 186.1
[M+K]+ 327.26330 171.2
[M+H-H2O]+ 271.29740 162.8
[M+HCOO]- 333.29834 197.9
[M+CH3COO]- 347.31399 226.1
[M+Na-2H]- 309.27481 171.3
[M]+ 288.29959 170.2
[M]- 288.30069 170.2
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