CID 47003621

3-methyl-3-azabicyclo[3.1.1]heptan-6-one hydrochloride

Structural Information

Molecular Formula
C7H11NO
SMILES
CN1CC2CC(C1)C2=O
InChI
InChI=1S/C7H11NO/c1-8-3-5-2-6(4-8)7(5)9/h5-6H,2-4H2,1H3
InChIKey
SAWKZFSKZRHOJA-UHFFFAOYSA-N
Compound name
3-methyl-3-azabicyclo[3.1.1]heptan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

125.08406 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 130.0
[M+Na]+ 148.07328 136.4
[M-H]- 124.07678 128.3
[M+NH4]+ 143.11788 149.1
[M+K]+ 164.04722 138.3
[M+H-H2O]+ 108.08132 121.3
[M+HCOO]- 170.08226 143.7
[M+CH3COO]- 184.09791 180.3
[M+Na-2H]- 146.05873 140.4
[M]+ 125.08351 140.7
[M]- 125.08461 140.7
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

patents stripe