CID 21118405

Mer-16

Structural Information

Molecular Formula
C20H25NO
SMILES
CN1CCCCC1CC(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H25NO/c1-21-15-9-8-14-19(21)16-20(22,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,19,22H,8-9,14-16H2,1H3
InChIKey
QUBHAFBOTZKMAD-UHFFFAOYSA-N
Compound name
2-(1-methylpiperidin-2-yl)-1,1-diphenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1936 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.20088 172.7
[M+Na]+ 318.18282 175.8
[M-H]- 294.18632 178.1
[M+NH4]+ 313.22742 185.0
[M+K]+ 334.15676 170.3
[M+H-H2O]+ 278.19086 163.2
[M+HCOO]- 340.19180 187.8
[M+CH3COO]- 354.20745 200.6
[M+Na-2H]- 316.16827 176.6
[M]+ 295.19305 166.7
[M]- 295.19415 166.8
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.