CID 120401

854-12-6

Structural Information

Molecular Formula
C20H33NO3
SMILES
CC1=CC(=C(C=C1)C(C)C)OCCOCCOCCN2CCCC2
InChI
InChI=1S/C20H33NO3/c1-17(2)19-7-6-18(3)16-20(19)24-15-14-23-13-12-22-11-10-21-8-4-5-9-21/h6-7,16-17H,4-5,8-15H2,1-3H3
InChIKey
TYRVGOGHIKFNBD-UHFFFAOYSA-N
Compound name
1-[2-[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]ethoxy]ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.24603 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.253306 185.8
[M+Na]+ 358.235248 188.9
[M-H]- 334.238754 189.6
[M+NH4]+ 353.279853 199.8
[M+K]+ 374.209188 186.2
[M+H-H2O]+ 318.243290 176.8
[M+HCOO]- 380.244231 204.3
[M+CH3COO]- 394.259881 212.2
[M+Na-2H]- 356.220696 183.6
[M]+ 335.24548142 189.8
[M]- 335.24657858 189.8
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.