CID 56787

94601-22-6

Structural Information

Molecular Formula
C10H21N2
SMILES
CN1CC2CCCC(C1)[N+]2(C)C
InChI
InChI=1S/C10H21N2/c1-11-7-9-5-4-6-10(8-11)12(9,2)3/h9-10H,4-8H2,1-3H3/q+1
InChIKey
GRXAAHRXVUUUTJ-UHFFFAOYSA-N
Compound name
3,9,9-trimethyl-3-aza-9-azoniabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.17047 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.17775 137.8
[M+Na]+ 192.15969 144.2
[M-H]- 168.16319 137.7
[M+NH4]+ 187.20429 159.5
[M+K]+ 208.13363 136.8
[M+H-H2O]+ 152.16773 134.1
[M+HCOO]- 214.16867 151.5
[M+CH3COO]- 228.18432 175.5
[M+Na-2H]- 190.14514 146.6
[M]+ 169.16992 132.0
[M]- 169.17102 132.0
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

No patent data available for this compound.