CID 21025

4918-95-0

Structural Information

Molecular Formula
C15H25NO
SMILES
CC(C)C1=CC(=CC(=C1O)C(C)C)CN(C)C
InChI
InChI=1S/C15H25NO/c1-10(2)13-7-12(9-16(5)6)8-14(11(3)4)15(13)17/h7-8,10-11,17H,9H2,1-6H3
InChIKey
DEYFSRVIHDNQHT-UHFFFAOYSA-N
Compound name
4-[(dimethylamino)methyl]-2,6-di(propan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

26
Patents

235.19362 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.20090 158.0
[M+Na]+ 258.18284 164.0
[M-H]- 234.18634 161.8
[M+NH4]+ 253.22744 176.3
[M+K]+ 274.15678 162.8
[M+H-H2O]+ 218.19088 151.9
[M+HCOO]- 280.19182 178.8
[M+CH3COO]- 294.20747 202.5
[M+Na-2H]- 256.16829 157.5
[M]+ 235.19307 160.1
[M]- 235.19417 160.1
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