CID 20034952

71326-24-4

Structural Information

Molecular Formula
C7H19N3
SMILES
CN(C)CCNCCCN
InChI
InChI=1S/C7H19N3/c1-10(2)7-6-9-5-3-4-8/h9H,3-8H2,1-2H3
InChIKey
DDODLJWYWDHQFZ-UHFFFAOYSA-N
Compound name
N'-[2-(dimethylamino)ethyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

145.1579 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.165176 135.4
[M+Na]+ 168.147118 139.7
[M-H]- 144.150624 136.2
[M+NH4]+ 163.191723 156.4
[M+K]+ 184.121058 140.2
[M+H-H2O]+ 128.155160 129.1
[M+HCOO]- 190.156101 161.7
[M+CH3COO]- 204.171751 187.7
[M+Na-2H]- 166.132566 140.6
[M]+ 145.15735142 134.8
[M]- 145.15844858 134.8
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