CID 10199351

Bis(8-aminooctyl)amine

Structural Information

Molecular Formula
C16H37N3
SMILES
C(CCCCNCCCCCCCCN)CCCN
InChI
InChI=1S/C16H37N3/c17-13-9-5-1-3-7-11-15-19-16-12-8-4-2-6-10-14-18/h19H,1-18H2
InChIKey
ZWZITQBHEXYRNP-UHFFFAOYSA-N
Compound name
N'-(8-aminooctyl)octane-1,8-diamine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

384
Patents

271.29874 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.30602 173.0
[M+Na]+ 294.28796 173.4
[M-H]- 270.29146 170.1
[M+NH4]+ 289.33256 187.9
[M+K]+ 310.26190 169.8
[M+H-H2O]+ 254.29600 165.1
[M+HCOO]- 316.29694 195.2
[M+CH3COO]- 330.31259 211.0
[M+Na-2H]- 292.27341 173.5
[M]+ 271.29819 173.5
[M]- 271.29929 173.5
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.