CID 86274

2-n-di-tert-butyl-2,6-toluenediamine

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

234.2096 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.21688 158.9
[M+Na]+ 257.19882 166.0
[M-H]- 233.20232 162.6
[M+NH4]+ 252.24342 177.3
[M+K]+ 273.17276 163.3
[M+H-H2O]+ 217.20686 153.6
[M+HCOO]- 279.20780 179.7
[M+CH3COO]- 293.22345 201.7
[M+Na-2H]- 255.18427 162.9
[M]+ 234.20905 158.5
[M]- 234.21015 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