CID 14522

3-methyl-3-azoniabicyclo(3.2.2)nonane iodide

Structural Information

Molecular Formula
C9H17N
SMILES
CN1CC2CCC(C1)CC2
InChI
InChI=1S/C9H17N/c1-10-6-8-2-3-9(7-10)5-4-8/h8-9H,2-7H2,1H3
InChIKey
VYMQLQVLMDEDRO-UHFFFAOYSA-N
Compound name
3-methyl-3-azabicyclo[3.2.2]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

176
Patents

139.1361 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.14338 137.4
[M+Na]+ 162.12532 145.0
[M-H]- 138.12882 137.9
[M+NH4]+ 157.16992 159.2
[M+K]+ 178.09926 141.9
[M+H-H2O]+ 122.13336 137.9
[M+HCOO]- 184.13430 148.5
[M+CH3COO]- 198.14995 147.8
[M+Na-2H]- 160.11077 147.5
[M]+ 139.13555 135.1
[M]- 139.13665 135.1
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