CID 93610

57269-38-2

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]+ 211.180496 153.0
[M+Na]+ 233.162438 158.6
[M-H]- 209.165944 152.2
[M+NH4]+ 228.207043 172.8
[M+K]+ 249.136378 156.4
[M+H-H2O]+ 193.170480 146.2
[M+HCOO]- 255.171421 167.9
[M+CH3COO]- 269.187071 189.4
[M+Na-2H]- 231.147886 154.3
[M]+ 210.17267142 151.5
[M]- 210.17376858 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.