CID 6435669

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

Structural Information

Molecular Formula
C15H26N2O
SMILES
C/C=C(\C)/CN1CC2CCC(C1)N2CCCC=O
InChI
InChI=1S/C15H26N2O/c1-3-13(2)10-16-11-14-6-7-15(12-16)17(14)8-4-5-9-18/h3,9,14-15H,4-8,10-12H2,1-2H3/b13-3+
InChIKey
HCSXFELJSUVKCJ-QLKAYGNNSA-N
Compound name
4-[3-[(E)-2-methylbut-2-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]butanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.20451 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.21179 165.4
[M+Na]+ 273.19373 170.0
[M-H]- 249.19723 164.1
[M+NH4]+ 268.23833 183.5
[M+K]+ 289.16767 166.4
[M+H-H2O]+ 233.20177 158.1
[M+HCOO]- 295.20271 179.5
[M+CH3COO]- 309.21836 197.6
[M+Na-2H]- 271.17918 165.1
[M]+ 250.20396 164.2
[M]- 250.20506 164.2
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.