CID 86127607

N-(4-aminobutyl)-n-(3-aminopropyl)hexanamide

Structural Information

Molecular Formula
C13H29N3O
SMILES
CCCCCC(=O)N(CCCCN)CCCN
InChI
InChI=1S/C13H29N3O/c1-2-3-4-8-13(17)16(12-7-10-15)11-6-5-9-14/h2-12,14-15H2,1H3
InChIKey
RIYFDCXURUKYPE-UHFFFAOYSA-N
Compound name
N-(4-aminobutyl)-N-(3-aminopropyl)hexanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

243.23106 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.23834 165.2
[M+Na]+ 266.22028 167.2
[M-H]- 242.22378 164.5
[M+NH4]+ 261.26488 181.9
[M+K]+ 282.19422 166.2
[M+H-H2O]+ 226.22832 157.7
[M+HCOO]- 288.22926 188.4
[M+CH3COO]- 302.24491 206.5
[M+Na-2H]- 264.20573 165.0
[M]+ 243.23051 165.8
[M]- 243.23161 165.8
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