CID 840637

101975-74-0

Structural Information

Molecular Formula
C12H12NO
SMILES
C[N+]1=CC=C(C=C1)OC2=CC=CC=C2
InChI
InChI=1S/C12H12NO/c1-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11/h2-10H,1H3/q+1
InChIKey
MRDSWFLOXQFTFR-UHFFFAOYSA-N
Compound name
1-methyl-4-phenoxypyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.09189 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.09917 140.9
[M+Na]+ 209.08111 149.2
[M-H]- 185.08461 146.8
[M+NH4]+ 204.12571 158.9
[M+K]+ 225.05505 140.7
[M+H-H2O]+ 169.08915 135.9
[M+HCOO]- 231.09009 164.5
[M+CH3COO]- 245.10574 175.4
[M+Na-2H]- 207.06656 151.5
[M]+ 186.09134 140.3
[M]- 186.09244 140.3
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.