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]+ 262.180156 162.0
[M+Na]+ 284.162098 166.5
[M-H]- 260.165604 167.9
[M+NH4]+ 279.206703 180.1
[M+K]+ 300.136038 164.1
[M+H-H2O]+ 244.170140 154.9
[M+HCOO]- 306.171081 182.0
[M+CH3COO]- 320.186731 199.9
[M+Na-2H]- 282.147546 164.9
[M]+ 261.17233142 159.4
[M]- 261.17342858 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.