CID 18407571

1427356-24-8

Structural Information

Molecular Formula
C7H11NO
SMILES
C1CC2CNCC1C2=O
InChI
InChI=1S/C7H11NO/c9-7-5-1-2-6(7)4-8-3-5/h5-6,8H,1-4H2
InChIKey
LKWRGVRWBYLOFM-UHFFFAOYSA-N
Compound name
3-azabicyclo[3.2.1]octan-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

125.08406 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 125.5
[M+Na]+ 148.07328 135.2
[M+NH4]+ 143.11788 134.9
[M+K]+ 164.04722 131.1
[M-H]- 124.07678 125.5
[M+Na-2H]- 146.05873 127.7
[M]+ 125.08351 126.5
[M]- 125.08461 126.5
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