CID 688320

4-(3-phenylpropyl)pyridine n-oxide

Structural Information

Molecular Formula
C14H15NO
SMILES
C1=CC=C(C=C1)CCCC2=CC=[N+](C=C2)[O-]
InChI
InChI=1S/C14H15NO/c16-15-11-9-14(10-12-15)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2
InChIKey
OOFBEJNEUVLZOW-UHFFFAOYSA-N
Compound name
1-oxido-4-(3-phenylpropyl)pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

178
Patents

213.11537 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.122646 148.8
[M+Na]+ 236.104588 155.5
[M-H]- 212.108094 152.6
[M+NH4]+ 231.149193 164.9
[M+K]+ 252.078528 146.6
[M+H-H2O]+ 196.112630 145.6
[M+HCOO]- 258.113571 171.1
[M+CH3COO]- 272.129221 178.5
[M+Na-2H]- 234.090036 157.3
[M]+ 213.11482142 146.5
[M]- 213.11591858 146.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe