CID 201717

6659-51-4

Structural Information

Molecular Formula
C8H14NO
SMILES
C[N+]12CCC(CC1)C(=O)C2
InChI
InChI=1S/C8H14NO/c1-9-4-2-7(3-5-9)8(10)6-9/h7H,2-6H2,1H3/q+1
InChIKey
LXEGNZLCWBTDGZ-UHFFFAOYSA-N
Compound name
1-methyl-1-azoniabicyclo[2.2.2]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

140.10754 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.114816 126.1
[M+Na]+ 163.096758 131.9
[M-H]- 139.100264 122.4
[M+NH4]+ 158.141363 152.8
[M+K]+ 179.070698 124.7
[M+H-H2O]+ 123.104800 124.1
[M+HCOO]- 185.105741 137.4
[M+CH3COO]- 199.121391 171.8
[M+Na-2H]- 161.082206 141.0
[M]+ 140.10699142 124.9
[M]- 140.10808858 124.9
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