CID 7777

N,n-bis(3-aminopropyl)methylamine

Structural Information

Molecular Formula
C7H19N3
SMILES
CN(CCCN)CCCN
InChI
InChI=1S/C7H19N3/c1-10(6-2-4-8)7-3-5-9/h2-9H2,1H3
InChIKey
KMBPCQSCMCEPMU-UHFFFAOYSA-N
Compound name
N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

9
References

17357
Patents

145.1579 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.16518 135.5
[M+Na]+ 168.14712 139.9
[M-H]- 144.15062 135.8
[M+NH4]+ 163.19172 156.2
[M+K]+ 184.12106 140.0
[M+H-H2O]+ 128.15516 129.2
[M+HCOO]- 190.15610 161.1
[M+CH3COO]- 204.17175 187.0
[M+Na-2H]- 166.13257 139.7
[M]+ 145.15735 133.9
[M]- 145.15845 133.9
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