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]+ 336.25331 185.8
[M+Na]+ 358.23525 188.9
[M-H]- 334.23875 189.6
[M+NH4]+ 353.27985 199.8
[M+K]+ 374.20919 186.2
[M+H-H2O]+ 318.24329 176.8
[M+HCOO]- 380.24423 204.3
[M+CH3COO]- 394.25988 212.2
[M+Na-2H]- 356.22070 183.6
[M]+ 335.24548 189.8
[M]- 335.24658 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.