CID 93610

Brn 0516219

Structural Information

Molecular Formula
C12H22N2O
SMILES
CCCCC(=O)N1CC2CCN(C1C2)C
InChI
InChI=1S/C12H22N2O/c1-3-4-5-12(15)14-9-10-6-7-13(2)11(14)8-10/h10-11H,3-9H2,1-2H3
InChIKey
BTVQOBOIVFZBMI-UHFFFAOYSA-N
Compound name
1-(2-methyl-2,7-diazabicyclo[3.2.1]octan-7-yl)pentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.17322 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.18050 153.0
[M+Na]+ 233.16244 158.6
[M-H]- 209.16594 152.2
[M+NH4]+ 228.20704 172.8
[M+K]+ 249.13638 156.4
[M+H-H2O]+ 193.17048 146.2
[M+HCOO]- 255.17142 167.9
[M+CH3COO]- 269.18707 189.4
[M+Na-2H]- 231.14789 154.3
[M]+ 210.17267 151.5
[M]- 210.17377 151.5
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.