CID 517609

1-n,4-n-dioctylbenzene-1,4-diamine

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

968
Patents

332.31915 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.32643 189.6
[M+Na]+ 355.30837 190.6
[M-H]- 331.31187 190.8
[M+NH4]+ 350.35297 203.0
[M+K]+ 371.28231 185.3
[M+H-H2O]+ 315.31641 180.8
[M+HCOO]- 377.31735 211.8
[M+CH3COO]- 391.33300 221.5
[M+Na-2H]- 353.29382 190.7
[M]+ 332.31860 193.1
[M]- 332.31970 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.