CID 432708

4-tert-butylbenzene-1,2-diamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

430
Patents

164.13135 Da
Monoisotopic Mass

1.9
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

literature stripe

Patent stripe

patents stripe