CID 110461

68527-65-1

Structural Information

Molecular Formula
C14H35N5
SMILES
CN(C)CCCN(CCCN)CCCNCCCN
InChI
InChI=1S/C14H35N5/c1-18(2)11-6-14-19(12-4-8-16)13-5-10-17-9-3-7-15/h17H,3-16H2,1-2H3
InChIKey
CHTMDIPJWQYHKG-UHFFFAOYSA-N
Compound name
N'-[3-[3-aminopropyl-[3-(dimethylamino)propyl]amino]propyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

273.28925 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.296526 172.4
[M+Na]+ 296.278468 172.3
[M-H]- 272.281974 172.8
[M+NH4]+ 291.323073 187.7
[M+K]+ 312.252408 172.3
[M+H-H2O]+ 256.286510 163.4
[M+HCOO]- 318.287451 198.1
[M+CH3COO]- 332.303101 221.9
[M+Na-2H]- 294.263916 172.8
[M]+ 273.28870142 173.0
[M]- 273.28979858 173.0
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

No patent data available for this compound.