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

2292
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

literature stripe

Patent stripe

patents stripe