CID 768164

172882-04-1

Structural Information

Molecular Formula
C9H16N2O
SMILES
CC12CNCC(C1=O)(CNC2)C
InChI
InChI=1S/C9H16N2O/c1-8-3-10-5-9(2,7(8)12)6-11-4-8/h10-11H,3-6H2,1-2H3
InChIKey
VAXDAORNOMZREO-UHFFFAOYSA-N
Compound name
1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

47
Patents

168.12627 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.13355 139.9
[M+Na]+ 191.11549 146.4
[M-H]- 167.11899 136.8
[M+NH4]+ 186.16009 161.8
[M+K]+ 207.08943 143.1
[M+H-H2O]+ 151.12353 134.3
[M+HCOO]- 213.12447 151.6
[M+CH3COO]- 227.14012 173.7
[M+Na-2H]- 189.10094 147.5
[M]+ 168.12572 132.6
[M]- 168.12682 132.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe