CID 70402

2,4,6-tri-tert-butylaniline

Structural Information

Molecular Formula
C18H31N
SMILES
CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)N)C(C)(C)C
InChI
InChI=1S/C18H31N/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11H,19H2,1-9H3
InChIKey
REJGDSCBQPJPQT-UHFFFAOYSA-N
Compound name
2,4,6-tritert-butylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1126
Patents

261.24564 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.252916 165.6
[M+Na]+ 284.234858 172.8
[M-H]- 260.238364 169.3
[M+NH4]+ 279.279463 183.5
[M+K]+ 300.208798 170.1
[M+H-H2O]+ 244.242900 161.0
[M+HCOO]- 306.243841 182.9
[M+CH3COO]- 320.259491 205.7
[M+Na-2H]- 282.220306 169.0
[M]+ 261.24509142 166.6
[M]- 261.24618858 166.6
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