CID 1556924

2,4,6-tri-tert-butyl-n-methylaniline

Structural Information

Molecular Formula
C19H33N
SMILES
CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)NC)C(C)(C)C
InChI
InChI=1S/C19H33N/c1-17(2,3)13-11-14(18(4,5)6)16(20-10)15(12-13)19(7,8)9/h11-12,20H,1-10H3
InChIKey
GFTNLYGZUUPSSM-UHFFFAOYSA-N
Compound name
2,4,6-tritert-butyl-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

185
Patents

275.2613 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.268576 169.5
[M+Na]+ 298.250518 176.2
[M-H]- 274.254024 173.6
[M+NH4]+ 293.295123 187.1
[M+K]+ 314.224458 173.7
[M+H-H2O]+ 258.258560 164.7
[M+HCOO]- 320.259501 187.1
[M+CH3COO]- 334.275151 209.4
[M+Na-2H]- 296.235966 173.5
[M]+ 275.26075142 171.9
[M]- 275.26184858 171.9
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