CID 12214019

35392-66-6

Structural Information

Molecular Formula
C7H9NO2
SMILES
CC1=[N+](C=C(C=C1)OC)[O-]
InChI
InChI=1S/C7H9NO2/c1-6-3-4-7(10-2)5-8(6)9/h3-5H,1-2H3
InChIKey
HAMUUCVAFXJSLN-UHFFFAOYSA-N
Compound name
5-methoxy-2-methyl-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

139.06332 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.070596 125.6
[M+Na]+ 162.052538 135.2
[M-H]- 138.056044 127.4
[M+NH4]+ 157.097143 145.6
[M+K]+ 178.026478 129.4
[M+H-H2O]+ 122.060580 124.9
[M+HCOO]- 184.061521 149.1
[M+CH3COO]- 198.077171 164.5
[M+Na-2H]- 160.037986 134.9
[M]+ 139.06277142 125.3
[M]- 139.06386858 125.3
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