CID 19879633

4-tert-butylbenzene-1,3-diamine

Structural Information

Molecular Formula
C10H16N2
SMILES
CC(C)(C)C1=C(C=C(C=C1)N)N
InChI
InChI=1S/C10H16N2/c1-10(2,3)8-5-4-7(11)6-9(8)12/h4-6H,11-12H2,1-3H3
InChIKey
JFQJDZQPICZGJF-UHFFFAOYSA-N
Compound name
4-tert-butylbenzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

175
Patents

164.13135 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.13863 137.4
[M+Na]+ 187.12057 145.1
[M-H]- 163.12407 140.7
[M+NH4]+ 182.16517 157.7
[M+K]+ 203.09451 142.7
[M+H-H2O]+ 147.12861 132.1
[M+HCOO]- 209.12955 160.8
[M+CH3COO]- 223.14520 184.8
[M+Na-2H]- 185.10602 142.7
[M]+ 164.13080 134.3
[M]- 164.13190 134.3
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