CID 6437880

63977-92-4

Structural Information

Molecular Formula
C16H20N2O
SMILES
CN1CC2CCC(C1)N2C(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C16H20N2O/c1-17-11-14-8-9-15(12-17)18(14)16(19)10-7-13-5-3-2-4-6-13/h2-7,10,14-15H,8-9,11-12H2,1H3/b10-7+
InChIKey
KORVTMHAROWYHH-JXMROGBWSA-N
Compound name
(E)-1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.15756 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.16484 162.5
[M+Na]+ 279.14678 173.8
[M+NH4]+ 274.19138 170.8
[M+K]+ 295.12072 168.1
[M-H]- 255.15028 164.3
[M+Na-2H]- 277.13223 166.1
[M]+ 256.15701 164.4
[M]- 256.15811 164.4
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.