CID 43521

60999-41-9

Structural Information

Molecular Formula
C20H21NO
SMILES
C1CN2CCC1C(=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C20H21NO/c22-20(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-15-21-13-11-16(19)12-14-21/h1-10,15-16,22H,11-14H2
InChIKey
CLTYGVKYRITDBH-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]oct-2-en-3-yl(diphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.16232 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.16960 165.5
[M+Na]+ 314.15154 179.7
[M+NH4]+ 309.19614 176.8
[M+K]+ 330.12548 170.3
[M-H]- 290.15504 168.3
[M+Na-2H]- 312.13699 170.1
[M]+ 291.16177 168.6
[M]- 291.16287 168.6
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.