CID 86272

1,3-benzenediamine, n1,6-bis(1,1-dimethylethyl)-4-methyl-

Structural Information

Molecular Formula
C15H26N2
SMILES
CC1=CC(=C(C=C1N)NC(C)(C)C)C(C)(C)C
InChI
InChI=1S/C15H26N2/c1-10-8-11(14(2,3)4)13(9-12(10)16)17-15(5,6)7/h8-9,17H,16H2,1-7H3
InChIKey
OASWMXZSDYLPOU-UHFFFAOYSA-N
Compound name
3-N,4-ditert-butyl-6-methylbenzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

234.2096 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.216876 158.9
[M+Na]+ 257.198818 166.0
[M-H]- 233.202324 162.6
[M+NH4]+ 252.243423 177.3
[M+K]+ 273.172758 163.3
[M+H-H2O]+ 217.206860 153.6
[M+HCOO]- 279.207801 179.7
[M+CH3COO]- 293.223451 201.7
[M+Na-2H]- 255.184266 162.9
[M]+ 234.20905142 158.5
[M]- 234.21014858 158.5
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