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

146
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

literature stripe

Patent stripe

patents stripe