CID 113621

1,3-benzenediamine, 4-(1,1-dimethylethyl)-2(or 6)-methyl-

Structural Information

Molecular Formula
C11H18N2
SMILES
CC1=C(C=CC(=C1N)C(C)(C)C)N
InChI
InChI=1S/C11H18N2/c1-7-9(12)6-5-8(10(7)13)11(2,3)4/h5-6H,12-13H2,1-4H3
InChIKey
DVPHIKHMYFQLKF-UHFFFAOYSA-N
Compound name
4-tert-butyl-2-methylbenzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

558
Patents

178.147 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.15428 141.8
[M+Na]+ 201.13622 153.0
[M+NH4]+ 196.18082 150.1
[M+K]+ 217.11016 147.5
[M-H]- 177.13972 144.8
[M+Na-2H]- 199.12167 147.7
[M]+ 178.14645 144.2
[M]- 178.14755 144.2
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

patents stripe