CID 15721

1798-46-5

Structural Information

Molecular Formula
C12H20N2O
SMILES
CCC(=O)N1C2CCC1CN(C2)CC=C
InChI
InChI=1S/C12H20N2O/c1-3-7-13-8-10-5-6-11(9-13)14(10)12(15)4-2/h3,10-11H,1,4-9H2,2H3
InChIKey
INPYZYGYRQOSMA-UHFFFAOYSA-N
Compound name
1-(3-prop-2-enyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.15756 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.16484 151.7
[M+Na]+ 231.14678 157.6
[M-H]- 207.15028 150.9
[M+NH4]+ 226.19138 171.5
[M+K]+ 247.12072 154.7
[M+H-H2O]+ 191.15482 144.9
[M+HCOO]- 253.15576 166.8
[M+CH3COO]- 267.17141 188.6
[M+Na-2H]- 229.13223 153.0
[M]+ 208.15701 149.4
[M]- 208.15811 149.4
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.