CID 322973

5291-26-9

Structural Information

Molecular Formula
C8H11NO
SMILES
C=C1C(=O)C2CCN1CC2
InChI
InChI=1S/C8H11NO/c1-6-8(10)7-2-4-9(6)5-3-7/h7H,1-5H2
InChIKey
NHPWIWAGVOXDPU-UHFFFAOYSA-N
Compound name
2-methylidene-1-azabicyclo[2.2.2]octan-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

347
Patents

137.08406 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.091336 126.7
[M+Na]+ 160.073278 132.8
[M-H]- 136.076784 122.6
[M+NH4]+ 155.117883 151.8
[M+K]+ 176.047218 130.5
[M+H-H2O]+ 120.081320 122.2
[M+HCOO]- 182.082261 138.6
[M+CH3COO]- 196.097911 138.4
[M+Na-2H]- 158.058726 138.0
[M]+ 137.08351142 126.5
[M]- 137.08460858 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

literature stripe

Patent stripe

patents stripe