CID 86888

N-(3-aminopropyl)-n'-methylpropane-1,3-diamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

145.1579 Da
Monoisotopic Mass

-0.9
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

literature stripe

Patent stripe

patents stripe