CID 2751820

4-methoxy-2,6-dimethylpyridin-1-ium-1-olate

Structural Information

Molecular Formula
C8H11NO2
SMILES
CC1=CC(=CC(=[N+]1[O-])C)OC
InChI
InChI=1S/C8H11NO2/c1-6-4-8(11-3)5-7(2)9(6)10/h4-5H,1-3H3
InChIKey
CMQDTHWXQUKRKA-UHFFFAOYSA-N
Compound name
4-methoxy-2,6-dimethyl-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

153.07898 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 129.1
[M+Na]+ 176.06820 144.8
[M+NH4]+ 171.11280 138.1
[M+K]+ 192.04214 140.5
[M-H]- 152.07170 132.0
[M+Na-2H]- 174.05365 136.1
[M]+ 153.07843 132.2
[M]- 153.07953 132.2
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

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