CID 6438222

1-styrylpiperidine methyliodide

Structural Information

Molecular Formula
C14H20N
SMILES
C[N+]1(CCCCC1)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C14H20N/c1-15(11-6-3-7-12-15)13-10-14-8-4-2-5-9-14/h2,4-5,8-10,13H,3,6-7,11-12H2,1H3/q+1/b13-10+
InChIKey
HJLMLAMDHMTWCR-JLHYYAGUSA-N
Compound name
1-methyl-1-[(E)-2-phenylethenyl]piperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.15958 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.16686 148.2
[M+Na]+ 225.14880 152.8
[M-H]- 201.15230 152.6
[M+NH4]+ 220.19340 167.3
[M+K]+ 241.12274 143.5
[M+H-H2O]+ 185.15684 143.2
[M+HCOO]- 247.15778 166.7
[M+CH3COO]- 261.17343 177.3
[M+Na-2H]- 223.13425 156.2
[M]+ 202.15903 141.3
[M]- 202.16013 141.3
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.