CID 3018099

N,n-bis(3-aminopropyl)-n',n'-dimethylpropane-1,3-diamine

Structural Information

Molecular Formula
C11H28N4
SMILES
CN(C)CCCN(CCCN)CCCN
InChI
InChI=1S/C11H28N4/c1-14(2)8-5-11-15(9-3-6-12)10-4-7-13/h3-13H2,1-2H3
InChIKey
NDYOVCQABQIDNF-UHFFFAOYSA-N
Compound name
N'-(3-aminopropyl)-N'-[3-(dimethylamino)propyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

216.2314 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.238676 157.4
[M+Na]+ 239.220618 159.4
[M-H]- 215.224124 158.4
[M+NH4]+ 234.265223 175.5
[M+K]+ 255.194558 160.0
[M+H-H2O]+ 199.228660 149.6
[M+HCOO]- 261.229601 183.2
[M+CH3COO]- 275.245251 207.7
[M+Na-2H]- 237.206066 158.9
[M]+ 216.23085142 157.7
[M]- 216.23194858 157.7
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