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

704
Patents

220.19395 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.201226 155.6
[M+Na]+ 243.183168 159.8
[M-H]- 219.186674 158.0
[M+NH4]+ 238.227773 173.3
[M+K]+ 259.157108 156.7
[M+H-H2O]+ 203.191210 148.6
[M+HCOO]- 265.192151 178.9
[M+CH3COO]- 279.207801 197.6
[M+Na-2H]- 241.168616 158.6
[M]+ 220.19340142 154.5
[M]- 220.19449858 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