CID 212065

R.556

Structural Information

Molecular Formula
C19H35N3
SMILES
CCCCCCCCN(CCN(CC)CC)C1=CC=CC=N1
InChI
InChI=1S/C19H35N3/c1-4-7-8-9-10-13-16-22(18-17-21(5-2)6-3)19-14-11-12-15-20-19/h11-12,14-15H,4-10,13,16-18H2,1-3H3
InChIKey
MVTPMRASRXORIX-UHFFFAOYSA-N
Compound name
N,N-diethyl-N'-octyl-N'-pyridin-2-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.2831 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.29038 182.5
[M+Na]+ 328.27232 184.1
[M-H]- 304.27582 185.4
[M+NH4]+ 323.31692 196.7
[M+K]+ 344.24626 182.3
[M+H-H2O]+ 288.28036 172.6
[M+HCOO]- 350.28130 205.4
[M+CH3COO]- 364.29695 220.8
[M+Na-2H]- 326.25777 184.5
[M]+ 305.28255 187.6
[M]- 305.28365 187.6
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.