CID 584493

N-(2-octyl)-p-phenylenediamine

Structural Information

Molecular Formula
C14H24N2
SMILES
CCCCCCC(C)NC1=CC=C(C=C1)N
InChI
InChI=1S/C14H24N2/c1-3-4-5-6-7-12(2)16-14-10-8-13(15)9-11-14/h8-12,16H,3-7,15H2,1-2H3
InChIKey
ZEZSYLKJRJYGEQ-UHFFFAOYSA-N
Compound name
4-N-octan-2-ylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

662
Patents

220.19395 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.20123 155.6
[M+Na]+ 243.18317 159.8
[M-H]- 219.18667 158.0
[M+NH4]+ 238.22777 173.3
[M+K]+ 259.15711 156.7
[M+H-H2O]+ 203.19121 148.6
[M+HCOO]- 265.19215 178.9
[M+CH3COO]- 279.20780 197.6
[M+Na-2H]- 241.16862 158.6
[M]+ 220.19340 154.5
[M]- 220.19450 154.5
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

patents stripe