CID 137791

N,n-dioctylaniline

Structural Information

Molecular Formula
C22H39N
SMILES
CCCCCCCCN(CCCCCCCC)C1=CC=CC=C1
InChI
InChI=1S/C22H39N/c1-3-5-7-9-11-16-20-23(22-18-14-13-15-19-22)21-17-12-10-8-6-4-2/h13-15,18-19H,3-12,16-17,20-21H2,1-2H3
InChIKey
PTRSTXBRQVXIEW-UHFFFAOYSA-N
Compound name
N,N-dioctylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1719
Patents

317.30826 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.31554 188.1
[M+Na]+ 340.29748 189.1
[M-H]- 316.30098 190.4
[M+NH4]+ 335.34208 202.8
[M+K]+ 356.27142 185.2
[M+H-H2O]+ 300.30552 179.2
[M+HCOO]- 362.30646 209.7
[M+CH3COO]- 376.32211 218.9
[M+Na-2H]- 338.28293 188.6
[M]+ 317.30771 193.1
[M]- 317.30881 193.1
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