CID 3035104

3-(2-methyl-2-butenyl)-8-propionyl-3,8-diazabicyclo(3.2.1)octane

Structural Information

Molecular Formula
C14H24N2O
SMILES
CCC(=O)N1C2CCC1CN(C2)CC=C(C)C
InChI
InChI=1S/C14H24N2O/c1-4-14(17)16-12-5-6-13(16)10-15(9-12)8-7-11(2)3/h7,12-13H,4-6,8-10H2,1-3H3
InChIKey
YYUARWHXAAMTTP-UHFFFAOYSA-N
Compound name
1-[3-(3-methylbut-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

236.18886 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.196136 161.3
[M+Na]+ 259.178078 166.2
[M-H]- 235.181584 160.3
[M+NH4]+ 254.222683 179.9
[M+K]+ 275.152018 163.2
[M+H-H2O]+ 219.186120 154.4
[M+HCOO]- 281.187061 174.7
[M+CH3COO]- 295.202711 194.8
[M+Na-2H]- 257.163526 160.4
[M]+ 236.18831142 159.0
[M]- 236.18940858 159.0
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.