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

literature stripe

Patent stripe

patents stripe