CID 487665

{3-[4-(tert-butyl)phenyl]-2-methylpropyl}{[2-(methoxymethyl)-2-methyl(1,3-dioxolan-4-yl)]methyl}amine

Structural Information

Molecular Formula
C21H35NO3
SMILES
CC(CC1=CC=C(C=C1)C(C)(C)C)CNCC2COC(O2)(C)COC
InChI
InChI=1S/C21H35NO3/c1-16(11-17-7-9-18(10-8-17)20(2,3)4)12-22-13-19-14-24-21(5,25-19)15-23-6/h7-10,16,19,22H,11-15H2,1-6H3
InChIKey
YZIAPGZETZGILV-UHFFFAOYSA-N
Compound name
3-(4-tert-butylphenyl)-N-[[2-(methoxymethyl)-2-methyl-1,3-dioxolan-4-yl]methyl]-2-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.2617 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.268976 189.5
[M+Na]+ 372.250918 193.1
[M-H]- 348.254424 196.4
[M+NH4]+ 367.295523 203.7
[M+K]+ 388.224858 192.9
[M+H-H2O]+ 332.258960 183.2
[M+HCOO]- 394.259901 206.6
[M+CH3COO]- 408.275551 217.2
[M+Na-2H]- 370.236366 191.4
[M]+ 349.26115142 193.7
[M]- 349.26224858 193.7
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

No patent data available for this compound.