CID 14083

2,6-dimethylpyridine n-oxide

Structural Information

Molecular Formula
C7H9NO
SMILES
CC1=[N+](C(=CC=C1)C)[O-]
InChI
InChI=1S/C7H9NO/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3
InChIKey
LIDGFHXPUOJZMK-UHFFFAOYSA-N
Compound name
2,6-dimethyl-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

912
Patents

123.06841 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 121.9
[M+Na]+ 146.05763 131.7
[M-H]- 122.06113 123.8
[M+NH4]+ 141.10223 142.7
[M+K]+ 162.03157 125.5
[M+H-H2O]+ 106.06567 121.5
[M+HCOO]- 168.06661 145.3
[M+CH3COO]- 182.08226 162.5
[M+Na-2H]- 144.04308 131.3
[M]+ 123.06786 120.3
[M]- 123.06896 120.3
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