CID 70066

Guaiapate

Structural Information

Molecular Formula
C18H29NO4
SMILES
COC1=CC=CC=C1OCCOCCOCCN2CCCCC2
InChI
InChI=1S/C18H29NO4/c1-20-17-7-3-4-8-18(17)23-16-15-22-14-13-21-12-11-19-9-5-2-6-10-19/h3-4,7-8H,2,5-6,9-16H2,1H3
InChIKey
PPVFOZYARYOARE-UHFFFAOYSA-N
Compound name
1-[2-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

367
Patents

323.20966 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.216936 178.7
[M+Na]+ 346.198878 180.8
[M-H]- 322.202384 181.8
[M+NH4]+ 341.243483 190.7
[M+K]+ 362.172818 178.8
[M+H-H2O]+ 306.206920 168.7
[M+HCOO]- 368.207861 196.8
[M+CH3COO]- 382.223511 206.8
[M+Na-2H]- 344.184326 180.9
[M]+ 323.20911142 181.4
[M]- 323.21020858 181.4
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

patents stripe