CID 78479

4741-99-5

Structural Information

Molecular Formula
C7H20N4
SMILES
C(CNCCN)CNCCN
InChI
InChI=1S/C7H20N4/c8-2-6-10-4-1-5-11-7-3-9/h10-11H,1-9H2
InChIKey
UWMHHZFHBCYGCV-UHFFFAOYSA-N
Compound name
N,N'-bis(2-aminoethyl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

21
References

1998
Patents

160.1688 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.17608 135.9
[M+Na]+ 183.15802 139.2
[M-H]- 159.16152 134.6
[M+NH4]+ 178.20262 154.8
[M+K]+ 199.13196 138.0
[M+H-H2O]+ 143.16606 129.2
[M+HCOO]- 205.16700 162.0
[M+CH3COO]- 219.18265 188.9
[M+Na-2H]- 181.14347 141.3
[M]+ 160.16825 132.2
[M]- 160.16935 132.2
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.