CID 155817932

Methoxpropamine

Structural Information

Molecular Formula
C16H23NO2
SMILES
CCCNC1(CCCCC1=O)C2=CC(=CC=C2)OC
InChI
InChI=1S/C16H23NO2/c1-3-11-17-16(10-5-4-9-15(16)18)13-7-6-8-14(12-13)19-2/h6-8,12,17H,3-5,9-11H2,1-2H3
InChIKey
AAVOSBAXDRASAH-UHFFFAOYSA-N
Compound name
2-(3-methoxyphenyl)-2-(propylamino)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

261.17288 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 161.7
[M+Na]+ 284.16210 166.5
[M-H]- 260.16560 167.6
[M+NH4]+ 279.20670 179.9
[M+K]+ 300.13604 163.5
[M+H-H2O]+ 244.17014 154.4
[M+HCOO]- 306.17108 182.8
[M+CH3COO]- 320.18673 199.0
[M+Na-2H]- 282.14755 165.8
[M]+ 261.17233 159.7
[M]- 261.17343 159.7
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