CID 467263

(r)-3,6-diamino-n-(2-aminoethyl)hexanamide

Structural Information

Molecular Formula
C8H20N4O
SMILES
C(CC(CC(=O)NCCN)N)CN
InChI
InChI=1S/C8H20N4O/c9-3-1-2-7(11)6-8(13)12-5-4-10/h7H,1-6,9-11H2,(H,12,13)
InChIKey
RKDFCOPVBCBDOI-UHFFFAOYSA-N
Compound name
3,6-diamino-N-(2-aminoethyl)hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

188.16371 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.17099 145.4
[M+Na]+ 211.15293 148.2
[M-H]- 187.15643 143.6
[M+NH4]+ 206.19753 162.7
[M+K]+ 227.12687 147.3
[M+H-H2O]+ 171.16097 138.4
[M+HCOO]- 233.16191 169.0
[M+CH3COO]- 247.17756 193.7
[M+Na-2H]- 209.13838 146.4
[M]+ 188.16316 140.3
[M]- 188.16426 140.3
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