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]+ 350.26898 189.5
[M+Na]+ 372.25092 193.1
[M-H]- 348.25442 196.4
[M+NH4]+ 367.29552 203.7
[M+K]+ 388.22486 192.9
[M+H-H2O]+ 332.25896 183.2
[M+HCOO]- 394.25990 206.6
[M+CH3COO]- 408.27555 217.2
[M+Na-2H]- 370.23637 191.4
[M]+ 349.26115 193.7
[M]- 349.26225 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.