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

169
Patents

164.13135 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.138626 137.4
[M+Na]+ 187.120568 145.1
[M-H]- 163.124074 140.7
[M+NH4]+ 182.165173 157.7
[M+K]+ 203.094508 142.7
[M+H-H2O]+ 147.128610 132.1
[M+HCOO]- 209.129551 160.8
[M+CH3COO]- 223.145201 184.8
[M+Na-2H]- 185.106016 142.7
[M]+ 164.13080142 134.3
[M]- 164.13189858 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