CID 21117806

1-n,2-n,2-n-tri(propan-2-yl)benzene-1,2-diamine

Structural Information

Molecular Formula
C15H26N2
SMILES
CC(C)NC1=CC=CC=C1N(C(C)C)C(C)C
InChI
InChI=1S/C15H26N2/c1-11(2)16-14-9-7-8-10-15(14)17(12(3)4)13(5)6/h7-13,16H,1-6H3
InChIKey
APUVYDSWQXMNEV-UHFFFAOYSA-N
Compound name
1-N,2-N,2-N-tri(propan-2-yl)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.2096 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.216876 160.9
[M+Na]+ 257.198818 164.3
[M-H]- 233.202324 165.3
[M+NH4]+ 252.243423 178.8
[M+K]+ 273.172758 163.8
[M+H-H2O]+ 217.206860 153.7
[M+HCOO]- 279.207801 182.9
[M+CH3COO]- 293.223451 206.5
[M+Na-2H]- 255.184266 161.1
[M]+ 234.20905142 161.2
[M]- 234.21014858 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

No patent data available for this compound.