CID 15651180

473795-37-8

Structural Information

Molecular Formula
C7H11NO
SMILES
C1CN2CC1CC(=O)C2
InChI
InChI=1S/C7H11NO/c9-7-3-6-1-2-8(4-6)5-7/h6H,1-5H2
InChIKey
KNHZVHKPTBBLRA-UHFFFAOYSA-N
Compound name
1-azabicyclo[3.2.1]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

235
Patents

125.08406 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 124.5
[M+Na]+ 148.073278 131.6
[M-H]- 124.076784 125.7
[M+NH4]+ 143.117883 148.8
[M+K]+ 164.047218 130.2
[M+H-H2O]+ 108.081320 119.2
[M+HCOO]- 170.082261 143.5
[M+CH3COO]- 184.097911 170.3
[M+Na-2H]- 146.058726 130.7
[M]+ 125.08351142 121.0
[M]- 125.08460858 121.0
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