CID 163192824

Methoxisopropamine

Structural Information

Molecular Formula
C16H23NO2
SMILES
CC(C)NC1(CCCCC1=O)C2=CC(=CC=C2)OC
InChI
InChI=1S/C16H23NO2/c1-12(2)17-16(10-5-4-9-15(16)18)13-7-6-8-14(11-13)19-3/h6-8,11-12,17H,4-5,9-10H2,1-3H3
InChIKey
FTQIVDGNGXPEKP-UHFFFAOYSA-N
Compound name
2-(3-methoxyphenyl)-2-(propan-2-ylamino)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 162.0
[M+Na]+ 284.16210 166.5
[M-H]- 260.16560 167.9
[M+NH4]+ 279.20670 180.1
[M+K]+ 300.13604 164.1
[M+H-H2O]+ 244.17014 154.9
[M+HCOO]- 306.17108 182.0
[M+CH3COO]- 320.18673 199.9
[M+Na-2H]- 282.14755 164.9
[M]+ 261.17233 159.4
[M]- 261.17343 159.4
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.