CID 98595

3,5-bis(1,1-dimethylethyl)-n,n-diethylaniline

Structural Information

Molecular Formula
C18H31N
SMILES
CCN(CC)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C18H31N/c1-9-19(10-2)16-12-14(17(3,4)5)11-15(13-16)18(6,7)8/h11-13H,9-10H2,1-8H3
InChIKey
HERJOAJMXZQYDO-UHFFFAOYSA-N
Compound name
3,5-ditert-butyl-N,N-diethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
Patents

261.24564 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.252916 166.4
[M+Na]+ 284.234858 172.4
[M-H]- 260.238364 171.4
[M+NH4]+ 279.279463 184.7
[M+K]+ 300.208798 170.7
[M+H-H2O]+ 244.242900 160.6
[M+HCOO]- 306.243841 186.5
[M+CH3COO]- 320.259491 208.8
[M+Na-2H]- 282.220306 169.7
[M]+ 261.24509142 169.9
[M]- 261.24618858 169.9
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