CID 71668

Mepiroxol

Structural Information

Molecular Formula
C6H7NO2
SMILES
C1=CC(=C[N+](=C1)[O-])CO
InChI
InChI=1S/C6H7NO2/c8-5-6-2-1-3-7(9)4-6/h1-4,8H,5H2
InChIKey
LQYJAVWWKTWWKN-UHFFFAOYSA-N
Compound name
(1-oxidopyridin-1-ium-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

136
Patents

125.047676 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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