CID 27570

15941-41-0

Structural Information

Molecular Formula

C₁₁H₁₀NO

SMILES

C1=CC=C(C=C1)[N+]2=CC=CC(=C2)O

InChI

InChI=1S/C11H9NO/c13-11-7-4-8-12(9-11)10-5-2-1-3-6-10/h1-9H/p+1

InChIKey

MPCCSJIXMCDZEP-UHFFFAOYSA-O

Compound name

1-phenylpyridin-1-ium-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 172.07623 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	173.08351	136.4
[M+Na]+	195.06545	144.7
[M-H]-	171.06895	141.1
[M+NH4]+	190.11005	154.3
[M+K]+	211.03939	135.6
[M+H-H2O]+	155.07349	131.9
[M+HCOO]-	217.07443	158.9
[M+CH3COO]-	231.09008	169.6
[M+Na-2H]-	193.05090	147.1
[M]+	172.07568	133.7
[M]-	172.07678	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe