CID 66609

2,6-di-tert-butyl-alpha-(dimethylamino)-p-cresol

Structural Information

Molecular Formula
C17H29NO
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN(C)C
InChI
InChI=1S/C17H29NO/c1-16(2,3)13-9-12(11-18(7)8)10-14(15(13)19)17(4,5)6/h9-10,19H,11H2,1-8H3
InChIKey
VMZVBRIIHDRYGK-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-[(dimethylamino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

12
References

11481
Patents

263.2249 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.232176 165.1
[M+Na]+ 286.214118 171.9
[M-H]- 262.217624 169.2
[M+NH4]+ 281.258723 182.9
[M+K]+ 302.188058 170.2
[M+H-H2O]+ 246.222160 159.9
[M+HCOO]- 308.223101 184.2
[M+CH3COO]- 322.238751 206.3
[M+Na-2H]- 284.199566 167.9
[M]+ 263.22435142 168.1
[M]- 263.22544858 168.1
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