CID 19485

3718-65-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

275
Patents

123.06841 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 121.3
[M+Na]+ 146.05763 137.3
[M+NH4]+ 141.10223 131.0
[M+K]+ 162.03157 132.5
[M-H]- 122.06113 124.7
[M+Na-2H]- 144.04308 129.3
[M]+ 123.06786 124.6
[M]- 123.06896 124.6
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