CID 59640

102585-74-0

Structural Information

Molecular Formula
C18H37N3
SMILES
C[N+]1(C2CCCC1CN(C2)CCC[N+]3(CCCCC3)C)C
InChI
InChI=1S/C18H37N3/c1-20(2)17-9-7-10-18(20)16-19(15-17)11-8-14-21(3)12-5-4-6-13-21/h17-18H,4-16H2,1-3H3/q+2
InChIKey
ZZARBYMZUBFVIV-UHFFFAOYSA-N
Compound name
9,9-dimethyl-3-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-3-aza-9-azoniabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.29874 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.30602 175.6
[M+Na]+ 318.28796 177.1
[M-H]- 294.29146 175.3
[M+NH4]+ 313.33256 191.4
[M+K]+ 334.26190 162.5
[M+H-H2O]+ 278.29600 170.4
[M+HCOO]- 340.29694 181.5
[M+CH3COO]- 354.31259 193.3
[M+Na-2H]- 316.27341 182.0
[M]+ 295.29819 164.7
[M]- 295.29929 164.7
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.