CID 14122864

Bis(4-aminobutyl)(methyl)amine

Structural Information

Molecular Formula
C9H23N3
SMILES
CN(CCCCN)CCCCN
InChI
InChI=1S/C9H23N3/c1-12(8-4-2-6-10)9-5-3-7-11/h2-11H2,1H3
InChIKey
YGSZVVMFWRFFCI-UHFFFAOYSA-N
Compound name
N'-(4-aminobutyl)-N'-methylbutane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

173.1892 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.196476 144.5
[M+Na]+ 196.178418 148.0
[M-H]- 172.181924 144.4
[M+NH4]+ 191.223023 164.0
[M+K]+ 212.152358 147.6
[M+H-H2O]+ 156.186460 137.8
[M+HCOO]- 218.187401 169.5
[M+CH3COO]- 232.203051 193.1
[M+Na-2H]- 194.163866 147.6
[M]+ 173.18865142 143.6
[M]- 173.18974858 143.6
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