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 161.3
[M+Na]+ 259.17808 166.2
[M-H]- 235.18158 160.3
[M+NH4]+ 254.22268 179.9
[M+K]+ 275.15202 163.2
[M+H-H2O]+ 219.18612 154.4
[M+HCOO]- 281.18706 174.7
[M+CH3COO]- 295.20271 194.8
[M+Na-2H]- 257.16353 160.4
[M]+ 236.18831 159.0
[M]- 236.18941 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.