CID 120405

856-12-2

Structural Information

Molecular Formula
C21H35NO3
SMILES
CC1=CC(=C(C=C1)C(C)C)OCCOCCOCCN2CCCCC2
InChI
InChI=1S/C21H35NO3/c1-18(2)20-8-7-19(3)17-21(20)25-16-15-24-14-13-23-12-11-22-9-5-4-6-10-22/h7-8,17-18H,4-6,9-16H2,1-3H3
InChIKey
BNYQUKSIGBFQCF-UHFFFAOYSA-N
Compound name
1-[2-[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]ethoxy]ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.2617 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.268976 189.9
[M+Na]+ 372.250918 191.6
[M-H]- 348.254424 192.9
[M+NH4]+ 367.295523 201.2
[M+K]+ 388.224858 188.7
[M+H-H2O]+ 332.258960 180.0
[M+HCOO]- 394.259901 205.8
[M+CH3COO]- 408.275551 215.7
[M+Na-2H]- 370.236366 188.6
[M]+ 349.26115142 192.0
[M]- 349.26224858 192.0
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.