CID 89666

22346-75-4

Structural Information

Molecular Formula

SMILES

C1=C[N+](=CC=C1CO)[O-]

InChI

InChI=1S/C6H7NO2/c8-5-6-1-3-7(9)4-2-6/h1-4,8H,5H2

InChIKey

ZJGXPKKVSNSGRJ-UHFFFAOYSA-N

Compound name

(1-oxidopyridin-1-ium-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 94
Patents: 125.047676 Da
Monoisotopic Mass: -1.0
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]+	126.05495	120.5
[M+Na]+	148.03689	135.4
[M+NH4]+	143.08150	129.5
[M+K]+	164.01083	131.4
[M-H]-	124.04040	122.9
[M+Na-2H]-	146.02234	127.9
[M]+	125.04713	123.2
[M]-	125.04822	123.2

Literature stripe

literature stripe

Patent stripe

patents stripe