CID 59652

3-(2-oxazolin-2-yl)-3-azabicyclo(3,2,2)nonane, hydrobromide

Structural Information

Molecular Formula
C11H18N2O
SMILES
C1CC2CCC1CN(C2)C3=NCCO3
InChI
InChI=1S/C11H18N2O/c1-2-10-4-3-9(1)7-13(8-10)11-12-5-6-14-11/h9-10H,1-8H2
InChIKey
XCWFRHVKMHYDFA-UHFFFAOYSA-N
Compound name
2-(3-azabicyclo[3.2.2]nonan-3-yl)-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.1419 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.149176 146.2
[M+Na]+ 217.131118 154.0
[M-H]- 193.134624 148.4
[M+NH4]+ 212.175723 165.4
[M+K]+ 233.105058 150.1
[M+H-H2O]+ 177.139160 143.8
[M+HCOO]- 239.140101 156.0
[M+CH3COO]- 253.155751 156.0
[M+Na-2H]- 215.116566 154.5
[M]+ 194.14135142 143.9
[M]- 194.14244858 143.9
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.