CID 14849096

N'-di-s-butyl-p-phenylenediamine

Structural Information

Molecular Formula
C14H24N2
SMILES
CCC(C)N(C1=CC=C(C=C1)N)C(C)CC
InChI
InChI=1S/C14H24N2/c1-5-11(3)16(12(4)6-2)14-9-7-13(15)8-10-14/h7-12H,5-6,15H2,1-4H3
InChIKey
BFVOBXSKECUHSW-UHFFFAOYSA-N
Compound name
4-N,4-N-di(butan-2-yl)benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1505
Patents

220.19395 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.201226 156.6
[M+Na]+ 243.183168 160.8
[M-H]- 219.186674 160.6
[M+NH4]+ 238.227773 174.9
[M+K]+ 259.157108 159.6
[M+H-H2O]+ 203.191210 149.5
[M+HCOO]- 265.192151 179.4
[M+CH3COO]- 279.207801 201.9
[M+Na-2H]- 241.168616 157.6
[M]+ 220.19340142 156.2
[M]- 220.19449858 156.2
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