CID 103249

1,4-benzenediamine, n,n,n'-tris(1-methylethyl)-

Structural Information

Molecular Formula
C15H26N2
SMILES
CC(C)NC1=CC=C(C=C1)N(C(C)C)C(C)C
InChI
InChI=1S/C15H26N2/c1-11(2)16-14-7-9-15(10-8-14)17(12(3)4)13(5)6/h7-13,16H,1-6H3
InChIKey
MXRWEWQQJFBOJF-UHFFFAOYSA-N
Compound name
1-N,4-N,4-N-tri(propan-2-yl)benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

234.2096 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.21688 160.9
[M+Na]+ 257.19882 164.3
[M-H]- 233.20232 165.3
[M+NH4]+ 252.24342 178.8
[M+K]+ 273.17276 163.8
[M+H-H2O]+ 217.20686 153.7
[M+HCOO]- 279.20780 182.9
[M+CH3COO]- 293.22345 206.5
[M+Na-2H]- 255.18427 161.1
[M]+ 234.20905 161.2
[M]- 234.21015 161.2
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