CID 417104

1-(2-methoxy-2-oxoethyl)pyridinium chloride

Structural Information

Molecular Formula
C8H10NO2
SMILES
COC(=O)C[N+]1=CC=CC=C1
InChI
InChI=1S/C8H10NO2/c1-11-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3/q+1
InChIKey
UUEOOWJGGDGGJE-UHFFFAOYSA-N
Compound name
methyl 2-pyridin-1-ium-1-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

152.07115 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.078426 130.6
[M+Na]+ 175.060368 138.5
[M-H]- 151.063874 133.3
[M+NH4]+ 170.104973 150.1
[M+K]+ 191.034308 132.3
[M+H-H2O]+ 135.068410 126.9
[M+HCOO]- 197.069351 153.6
[M+CH3COO]- 211.085001 167.5
[M+Na-2H]- 173.045816 140.4
[M]+ 152.07060142 130.8
[M]- 152.07169858 130.8
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