CID 14344816

10551-42-5

Structural Information

Molecular Formula
C15H18N
SMILES
CC1=CC=CC=[N+]1CCCC2=CC=CC=C2
InChI
InChI=1S/C15H18N/c1-14-8-5-6-12-16(14)13-7-11-15-9-3-2-4-10-15/h2-6,8-10,12H,7,11,13H2,1H3/q+1
InChIKey
RLSJPVCYWIKQMA-UHFFFAOYSA-N
Compound name
2-methyl-1-(3-phenylpropyl)pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

212.14392 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.15120 151.4
[M+Na]+ 235.13314 158.4
[M-H]- 211.13664 156.6
[M+NH4]+ 230.17774 168.4
[M+K]+ 251.10708 148.7
[M+H-H2O]+ 195.14118 145.9
[M+HCOO]- 257.14212 173.7
[M+CH3COO]- 271.15777 182.5
[M+Na-2H]- 233.11859 160.3
[M]+ 212.14337 150.5
[M]- 212.14447 150.5
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