CID 3019829

84282-24-6

Structural Information

Molecular Formula
C12H20N2
SMILES
CC1=CC(=C(C(=C1N)C)N)C(C)(C)C
InChI
InChI=1S/C12H20N2/c1-7-6-9(12(3,4)5)11(14)8(2)10(7)13/h6H,13-14H2,1-5H3
InChIKey
MOSVLZUJVNSVIZ-UHFFFAOYSA-N
Compound name
4-tert-butyl-2,6-dimethylbenzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

148
Patents

192.16264 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.169916 146.1
[M+Na]+ 215.151858 154.9
[M-H]- 191.155364 149.9
[M+NH4]+ 210.196463 166.0
[M+K]+ 231.125798 152.1
[M+H-H2O]+ 175.159900 141.0
[M+HCOO]- 237.160841 168.8
[M+CH3COO]- 251.176491 193.4
[M+Na-2H]- 213.137306 149.0
[M]+ 192.16209142 144.6
[M]- 192.16318858 144.6
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