CID 5980055

1152-45-0

Structural Information

Molecular Formula
C17H21NO
SMILES
C1CC2CCC1CN(C2)C(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C17H21NO/c19-17(11-10-14-4-2-1-3-5-14)18-12-15-6-7-16(13-18)9-8-15/h1-5,10-11,15-16H,6-9,12-13H2/b11-10+
InChIKey
XLSCFYZYWNYHKG-ZHACJKMWSA-N
Compound name
(E)-1-(3-azabicyclo[3.2.2]nonan-3-yl)-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.16231 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16959 165.6
[M+Na]+ 278.15153 172.3
[M-H]- 254.15503 168.0
[M+NH4]+ 273.19613 183.6
[M+K]+ 294.12547 167.7
[M+H-H2O]+ 238.15957 165.2
[M+HCOO]- 300.16051 175.6
[M+CH3COO]- 314.17616 174.1
[M+Na-2H]- 276.13698 173.2
[M]+ 255.16176 163.0
[M]- 255.16286 163.0
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.