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
2
Annotation Hits

0
References

564
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 150.1
[M-H]- 177.13972 145.4
[M+NH4]+ 196.18082 161.9
[M+K]+ 217.11016 147.4
[M+H-H2O]+ 161.14426 136.6
[M+HCOO]- 223.14520 164.9
[M+CH3COO]- 237.16085 189.0
[M+Na-2H]- 199.12167 145.9
[M]+ 178.14645 139.5
[M]- 178.14755 139.5
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