CID 6434793

63977-90-2

Structural Information

Molecular Formula
C16H20N2O
SMILES
CN1C2CCC1CN(C2)C(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C16H20N2O/c1-17-14-8-9-15(17)12-18(11-14)16(19)10-7-13-5-3-2-4-6-13/h2-7,10,14-15H,8-9,11-12H2,1H3/b10-7+
InChIKey
AUHOMZNEERYDEN-JXMROGBWSA-N
Compound name
(E)-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-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 162.6
[M+Na]+ 279.14678 168.1
[M-H]- 255.15028 164.9
[M+NH4]+ 274.19138 179.9
[M+K]+ 295.12072 163.4
[M+H-H2O]+ 239.15482 154.2
[M+HCOO]- 301.15576 177.8
[M+CH3COO]- 315.17141 172.7
[M+Na-2H]- 277.13223 164.0
[M]+ 256.15701 159.1
[M]- 256.15811 159.1
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.