CID 210240

21199-23-5

Structural Information

Molecular Formula
C19H34N2
SMILES
C[N+]1(CCC(CC1)CC2=CC=CC=C2)CCC[N+](C)(C)C
InChI
InChI=1S/C19H34N2/c1-20(2,3)13-8-14-21(4)15-11-19(12-16-21)17-18-9-6-5-7-10-18/h5-7,9-10,19H,8,11-17H2,1-4H3/q+2
InChIKey
DYSDWVXKBVDPIB-UHFFFAOYSA-N
Compound name
3-(4-benzyl-1-methylpiperidin-1-ium-1-yl)propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.2722 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.27948 172.0
[M+Na]+ 313.26142 174.7
[M-H]- 289.26492 177.4
[M+NH4]+ 308.30602 188.0
[M+K]+ 329.23536 160.6
[M+H-H2O]+ 273.26946 169.1
[M+HCOO]- 335.27040 188.8
[M+CH3COO]- 349.28605 197.1
[M+Na-2H]- 311.24687 180.8
[M]+ 290.27165 167.1
[M]- 290.27275 167.1
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

No patent data available for this compound.