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]+ 126.091336 130.0
[M+Na]+ 148.073278 136.4
[M-H]- 124.076784 128.3
[M+NH4]+ 143.117883 149.1
[M+K]+ 164.047218 138.3
[M+H-H2O]+ 108.081320 121.3
[M+HCOO]- 170.082261 143.7
[M+CH3COO]- 184.097911 180.3
[M+Na-2H]- 146.058726 140.4
[M]+ 125.08351142 140.7
[M]- 125.08460858 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