CID 5315162

6,7-dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethyl)-7-methyl-5h-2-pyrindinium

Structural Information

Molecular Formula
C18H22NO2
SMILES
CC1CCC2=C1C=[N+](C=C2CO)CCC3=CC=C(C=C3)O
InChI
InChI=1S/C18H21NO2/c1-13-2-7-17-15(12-20)10-19(11-18(13)17)9-8-14-3-5-16(21)6-4-14/h3-6,10-11,13,20H,2,7-9,12H2,1H3/p+1
InChIKey
XLWXLZKPQFKGJS-UHFFFAOYSA-O
Compound name
4-[2-[4-(hydroxymethyl)-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-2-yl]ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

284.16504 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.17232 166.4
[M+Na]+ 307.15426 181.9
[M+NH4]+ 302.19886 175.9
[M+K]+ 323.12820 176.5
[M-H]- 283.15776 171.7
[M+Na-2H]- 305.13971 173.3
[M]+ 284.16449 170.5
[M]- 284.16559 170.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.