CID 83962878

Schembl12075033

Structural Information

Molecular Formula
C7H19N3
SMILES
CCNCCNCCCN
InChI
InChI=1S/C7H19N3/c1-2-9-6-7-10-5-3-4-8/h9-10H,2-8H2,1H3
InChIKey
PLMFXERLBABFHB-UHFFFAOYSA-N
Compound name
N'-[2-(ethylamino)ethyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

145.1579 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.165176 134.1
[M+Na]+ 168.147118 138.2
[M-H]- 144.150624 133.4
[M+NH4]+ 163.191723 154.3
[M+K]+ 184.121058 137.3
[M+H-H2O]+ 128.155160 128.0
[M+HCOO]- 190.156101 159.8
[M+CH3COO]- 204.171751 184.3
[M+Na-2H]- 166.132566 140.2
[M]+ 145.15735142 132.2
[M]- 145.15844858 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

patents stripe