CID 5494411

N-ethyl-n-[3-(propylamino)propyl]propane-1,3-diamine

Structural Information

Molecular Formula
C11H27N3
SMILES
CCCNCCCNCCCNCC
InChI
InChI=1S/C11H27N3/c1-3-7-13-9-6-11-14-10-5-8-12-4-2/h12-14H,3-11H2,1-2H3
InChIKey
ZFYULDAPZWEGGQ-UHFFFAOYSA-N
Compound name
N-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

201.2205 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.22778 151.6
[M+Na]+ 224.20972 154.1
[M-H]- 200.21322 150.7
[M+NH4]+ 219.25432 169.9
[M+K]+ 240.18366 152.5
[M+H-H2O]+ 184.21776 144.7
[M+HCOO]- 246.21870 176.7
[M+CH3COO]- 260.23435 197.1
[M+Na-2H]- 222.19517 156.7
[M]+ 201.21995 152.3
[M]- 201.22105 152.3
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.