CID 198591

1-ethyl-3-hydroxypyridinium bromide

Structural Information

Molecular Formula
C7H10NO
SMILES
CC[N+]1=CC=CC(=C1)O
InChI
InChI=1S/C7H9NO/c1-2-8-5-3-4-7(9)6-8/h3-6H,2H2,1H3/p+1
InChIKey
CCTDQTKTUQTKFP-UHFFFAOYSA-O
Compound name
1-ethylpyridin-1-ium-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

57
Patents

124.07624 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.08352 120.9
[M+Na]+ 147.06546 136.7
[M+NH4]+ 142.11006 131.0
[M+K]+ 163.03940 130.9
[M-H]- 123.06896 124.5
[M+Na-2H]- 145.05091 129.8
[M]+ 124.07569 124.6
[M]- 124.07679 124.6
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