CID 207074

Brn 1255391

Structural Information

Molecular Formula
C19H30ClNO
SMILES
CCC(C)C(CN1CCCCC1)C2=C(C=CC(=C2)Cl)OCC
InChI
InChI=1S/C19H30ClNO/c1-4-15(3)18(14-21-11-7-6-8-12-21)17-13-16(20)9-10-19(17)22-5-2/h9-10,13,15,18H,4-8,11-12,14H2,1-3H3
InChIKey
ZVBWFFQRJPHKFY-UHFFFAOYSA-N
Compound name
1-[2-(5-chloro-2-ethoxyphenyl)-3-methylpentyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.2016 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.20888 180.5
[M+Na]+ 346.19082 183.9
[M-H]- 322.19432 183.9
[M+NH4]+ 341.23542 194.0
[M+K]+ 362.16476 178.9
[M+H-H2O]+ 306.19886 172.2
[M+HCOO]- 368.19980 191.1
[M+CH3COO]- 382.21545 210.2
[M+Na-2H]- 344.17627 178.6
[M]+ 323.20105 180.6
[M]- 323.20215 180.6
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.