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 166.3
[M+Na]+ 314.15154 169.0
[M-H]- 290.15504 166.1
[M+NH4]+ 309.19614 183.2
[M+K]+ 330.12548 163.5
[M+H-H2O]+ 274.15958 157.8
[M+HCOO]- 336.16052 174.9
[M+CH3COO]- 350.17617 174.2
[M+Na-2H]- 312.13699 178.0
[M]+ 291.16177 165.0
[M]- 291.16287 165.0
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.