CID 67161

Methylbis(3-methylaminopropyl)amine

Structural Information

Molecular Formula
C9H23N3
SMILES
CNCCCN(C)CCCNC
InChI
InChI=1S/C9H23N3/c1-10-6-4-8-12(3)9-5-7-11-2/h10-11H,4-9H2,1-3H3
InChIKey
PQYGBJHVVYREGU-UHFFFAOYSA-N
Compound name
N,N'-dimethyl-N'-[3-(methylamino)propyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

290
Patents

173.1892 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.19648 144.3
[M+Na]+ 196.17842 147.8
[M-H]- 172.18192 145.3
[M+NH4]+ 191.22302 164.4
[M+K]+ 212.15236 148.1
[M+H-H2O]+ 156.18646 137.6
[M+HCOO]- 218.18740 170.5
[M+CH3COO]- 232.20305 194.5
[M+Na-2H]- 194.16387 149.5
[M]+ 173.18865 145.5
[M]- 173.18975 145.5
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