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]+ 237.19614 160.0
[M+Na]+ 259.17808 168.3
[M+NH4]+ 254.22268 167.2
[M+K]+ 275.15202 164.2
[M-H]- 235.18158 158.7
[M+Na-2H]- 257.16353 159.4
[M]+ 236.18831 160.3
[M]- 236.18941 160.3
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.