CID 10486907

2,3,5-trimethyl-1-oxidopyridin-1-ium

Structural Information

Molecular Formula
C8H11NO
SMILES
CC1=CC(=C([N+](=C1)[O-])C)C
InChI
InChI=1S/C8H11NO/c1-6-4-7(2)8(3)9(10)5-6/h4-5H,1-3H3
InChIKey
YSBDSWBSEXCSSE-UHFFFAOYSA-N
Compound name
2,3,5-trimethyl-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
Patents

137.08406 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 126.0
[M+Na]+ 160.07328 136.3
[M-H]- 136.07678 128.1
[M+NH4]+ 155.11788 146.5
[M+K]+ 176.04722 129.8
[M+H-H2O]+ 120.08132 125.7
[M+HCOO]- 182.08226 149.0
[M+CH3COO]- 196.09791 166.6
[M+Na-2H]- 158.05873 134.2
[M]+ 137.08351 125.1
[M]- 137.08461 125.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.