CID 517609

1241-28-7

Structural Information

Molecular Formula
C22H40N2
SMILES
CCCCCCCCNC1=CC=C(C=C1)NCCCCCCCC
InChI
InChI=1S/C22H40N2/c1-3-5-7-9-11-13-19-23-21-15-17-22(18-16-21)24-20-14-12-10-8-6-4-2/h15-18,23-24H,3-14,19-20H2,1-2H3
InChIKey
DFNXHHNFURNWAF-UHFFFAOYSA-N
Compound name
1-N,4-N-dioctylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

713
Patents

332.31915 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.326426 189.6
[M+Na]+ 355.308368 190.6
[M-H]- 331.311874 190.8
[M+NH4]+ 350.352973 203.0
[M+K]+ 371.282308 185.3
[M+H-H2O]+ 315.316410 180.8
[M+HCOO]- 377.317351 211.8
[M+CH3COO]- 391.333001 221.5
[M+Na-2H]- 353.293816 190.7
[M]+ 332.31860142 193.1
[M]- 332.31969858 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