CID 10419155

(5-aminopentyl)(methyl)amine dihydrochloride

Structural Information

Molecular Formula
C6H16N2
SMILES
CNCCCCCN
InChI
InChI=1S/C6H16N2/c1-8-6-4-2-3-5-7/h8H,2-7H2,1H3
InChIKey
BYVVEGMFBFDFHN-UHFFFAOYSA-N
Compound name
N'-methylpentane-1,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2675
Patents

116.13135 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.138626 126.8
[M+Na]+ 139.120568 132.3
[M-H]- 115.124074 126.4
[M+NH4]+ 134.165173 148.7
[M+K]+ 155.094508 131.6
[M+H-H2O]+ 99.128610 121.6
[M+HCOO]- 161.129551 151.9
[M+CH3COO]- 175.145201 176.2
[M+Na-2H]- 137.106016 133.2
[M]+ 116.13080142 125.4
[M]- 116.13189858 125.4
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