CID 548825

3-azabicyclo[3.2.1]octan-2-one

Structural Information

Molecular Formula
C7H11NO
SMILES
C1CC2CC1CNC2=O
InChI
InChI=1S/C7H11NO/c9-7-6-2-1-5(3-6)4-8-7/h5-6H,1-4H2,(H,8,9)
InChIKey
VIJCSXWSAGILRP-UHFFFAOYSA-N
Compound name
3-azabicyclo[3.2.1]octan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

125.08406 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 125.2
[M+Na]+ 148.073278 131.9
[M-H]- 124.076784 125.0
[M+NH4]+ 143.117883 148.8
[M+K]+ 164.047218 129.6
[M+H-H2O]+ 108.081320 120.2
[M+HCOO]- 170.082261 142.7
[M+CH3COO]- 184.097911 167.6
[M+Na-2H]- 146.058726 130.9
[M]+ 125.08351142 119.9
[M]- 125.08460858 119.9
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