CID 113618

103596-73-2

Structural Information

Molecular Formula
C15H26N2
SMILES
CC1=C(C(=CC(=C1N)C(C)(C)C)C(C)(C)C)N
InChI
InChI=1S/C15H26N2/c1-9-12(16)10(14(2,3)4)8-11(13(9)17)15(5,6)7/h8H,16-17H2,1-7H3
InChIKey
IUWZLTGXALKGRP-UHFFFAOYSA-N
Compound name
4,6-ditert-butyl-2-methylbenzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

32
Patents

234.2096 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.216876 159.0
[M+Na]+ 257.198818 167.0
[M-H]- 233.202324 162.6
[M+NH4]+ 252.243423 177.4
[M+K]+ 273.172758 164.1
[M+H-H2O]+ 217.206860 154.1
[M+HCOO]- 279.207801 179.1
[M+CH3COO]- 293.223451 202.4
[M+Na-2H]- 255.184266 161.2
[M]+ 234.20905142 158.0
[M]- 234.21014858 158.0
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