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

34
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.