CID 6435669

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

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]+ 251.211786 165.4
[M+Na]+ 273.193728 170.0
[M-H]- 249.197234 164.1
[M+NH4]+ 268.238333 183.5
[M+K]+ 289.167668 166.4
[M+H-H2O]+ 233.201770 158.1
[M+HCOO]- 295.202711 179.5
[M+CH3COO]- 309.218361 197.6
[M+Na-2H]- 271.179176 165.1
[M]+ 250.20396142 164.2
[M]- 250.20505858 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.