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
1
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]+ 274.29653 172.4
[M+Na]+ 296.27847 172.3
[M-H]- 272.28197 172.8
[M+NH4]+ 291.32307 187.7
[M+K]+ 312.25241 172.3
[M+H-H2O]+ 256.28651 163.4
[M+HCOO]- 318.28745 198.1
[M+CH3COO]- 332.30310 221.9
[M+Na-2H]- 294.26392 172.8
[M]+ 273.28870 173.0
[M]- 273.28980 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.