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]+ 292.169596 166.3
[M+Na]+ 314.151538 169.0
[M-H]- 290.155044 166.1
[M+NH4]+ 309.196143 183.2
[M+K]+ 330.125478 163.5
[M+H-H2O]+ 274.159580 157.8
[M+HCOO]- 336.160521 174.9
[M+CH3COO]- 350.176171 174.2
[M+Na-2H]- 312.136986 178.0
[M]+ 291.16177142 165.0
[M]- 291.16286858 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.