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]+ 140.143376 137.4
[M+Na]+ 162.125318 145.0
[M-H]- 138.128824 137.9
[M+NH4]+ 157.169923 159.2
[M+K]+ 178.099258 141.9
[M+H-H2O]+ 122.133360 137.9
[M+HCOO]- 184.134301 148.5
[M+CH3COO]- 198.149951 147.8
[M+Na-2H]- 160.110766 147.5
[M]+ 139.13555142 135.1
[M]- 139.13664858 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