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]+ 174.19648 144.5
[M+Na]+ 196.17842 148.0
[M-H]- 172.18192 144.4
[M+NH4]+ 191.22302 164.0
[M+K]+ 212.15236 147.6
[M+H-H2O]+ 156.18646 137.8
[M+HCOO]- 218.18740 169.5
[M+CH3COO]- 232.20305 193.1
[M+Na-2H]- 194.16387 147.6
[M]+ 173.18865 143.6
[M]- 173.18975 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