CID 177801630

(2-aminoethyl)(4-aminohexan-3-yl)amine

Structural Information

Molecular Formula
C8H21N3
SMILES
CCC(C(CC)NCCN)N
InChI
InChI=1S/C8H21N3/c1-3-7(10)8(4-2)11-6-5-9/h7-8,11H,3-6,9-10H2,1-2H3
InChIKey
AIESJOSAOSNBTP-UHFFFAOYSA-N
Compound name
4-N-(2-aminoethyl)hexane-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.17355 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.180826 141.6
[M+Na]+ 182.162768 144.9
[M-H]- 158.166274 140.4
[M+NH4]+ 177.207373 160.9
[M+K]+ 198.136708 144.3
[M+H-H2O]+ 142.170810 135.4
[M+HCOO]- 204.171751 164.4
[M+CH3COO]- 218.187401 188.4
[M+Na-2H]- 180.148216 143.3
[M]+ 159.17300142 137.7
[M]- 159.17409858 137.7
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

No patent data available for this compound.