CID 45830

Brn 0523813

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]+ 251.21179 165.2
[M+Na]+ 273.19373 168.5
[M-H]- 249.19723 167.0
[M+NH4]+ 268.23833 184.4
[M+K]+ 289.16767 165.5
[M+H-H2O]+ 233.20177 157.5
[M+HCOO]- 295.20271 178.4
[M+CH3COO]- 309.21836 195.1
[M+Na-2H]- 271.17918 162.2
[M]+ 250.20396 160.0
[M]- 250.20506 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.