CID 45830

3-(cyclopentylmethyl)-8-propionyl-3,8-diazabicyclo(3.2.1)octane

Structural Information

Molecular Formula
C15H26N2O
SMILES
CCC(=O)N1C2CCC1CN(C2)CC3CCCC3
InChI
InChI=1S/C15H26N2O/c1-2-15(18)17-13-7-8-14(17)11-16(10-13)9-12-5-3-4-6-12/h12-14H,2-11H2,1H3
InChIKey
NZAVDKRFUVOTLS-UHFFFAOYSA-N
Compound name
1-[3-(cyclopentylmethyl)-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

250.20451 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.211786 165.2
[M+Na]+ 273.193728 168.5
[M-H]- 249.197234 167.0
[M+NH4]+ 268.238333 184.4
[M+K]+ 289.167668 165.5
[M+H-H2O]+ 233.201770 157.5
[M+HCOO]- 295.202711 178.4
[M+CH3COO]- 309.218361 195.1
[M+Na-2H]- 271.179176 162.2
[M]+ 250.20396142 160.0
[M]- 250.20505858 160.0
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.