CID 45829

63977-96-8

Structural Information

Molecular Formula
C16H28N2O
SMILES
CCC(=O)N1C2CCC1CN(C2)CCC3CCCC3
InChI
InChI=1S/C16H28N2O/c1-2-16(19)18-14-7-8-15(18)12-17(11-14)10-9-13-5-3-4-6-13/h13-15H,2-12H2,1H3
InChIKey
XXPRYWVKIKJFRN-UHFFFAOYSA-N
Compound name
1-[3-(2-cyclopentylethyl)-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

264.22015 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.22743 169.7
[M+Na]+ 287.20937 172.6
[M-H]- 263.21287 171.3
[M+NH4]+ 282.25397 188.3
[M+K]+ 303.18331 169.3
[M+H-H2O]+ 247.21741 161.8
[M+HCOO]- 309.21835 182.5
[M+CH3COO]- 323.23400 198.0
[M+Na-2H]- 285.19482 166.1
[M]+ 264.21960 164.8
[M]- 264.22070 164.8
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.