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]+ 265.227426 169.7
[M+Na]+ 287.209368 172.6
[M-H]- 263.212874 171.3
[M+NH4]+ 282.253973 188.3
[M+K]+ 303.183308 169.3
[M+H-H2O]+ 247.217410 161.8
[M+HCOO]- 309.218351 182.5
[M+CH3COO]- 323.234001 198.0
[M+Na-2H]- 285.194816 166.1
[M]+ 264.21960142 164.8
[M]- 264.22069858 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.