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

398
Patents

178.147 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.154276 141.8
[M+Na]+ 201.136218 150.1
[M-H]- 177.139724 145.4
[M+NH4]+ 196.180823 161.9
[M+K]+ 217.110158 147.4
[M+H-H2O]+ 161.144260 136.6
[M+HCOO]- 223.145201 164.9
[M+CH3COO]- 237.160851 189.0
[M+Na-2H]- 199.121666 145.9
[M]+ 178.14645142 139.5
[M]- 178.14754858 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